2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one (Q27453843)

2-(4-{6-[(3s)-3,4-Dimethylpiperazin-1-Yl]-4-Methylpyridin-3-Yl}phenyl)-8-(Hydroxymethyl)quinazolin-4(3h)-One (English)

19 October 2016

chemical formula

C₂₇H₂₉N₅O₂

1 reference

2-(4-{6-[(3s)-3,4-Dimethylpiperazin-1-Yl]-4-Methylpyridin-3-Yl}phenyl)-8-(Hydroxymethyl)quinazolin-4(3h)-One (English)

19 October 2016

canonical SMILES

CC1CN(CCN1C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC(=O)C5=C(N4)C(=CC=C5)CO

1 reference

2-(4-{6-[(3s)-3,4-Dimethylpiperazin-1-Yl]-4-Methylpyridin-3-Yl}phenyl)-8-(Hydroxymethyl)quinazolin-4(3h)-One (English)

19 October 2016

isomeric SMILES

C[C@H]1CN(CCN1C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC(=O)C5=C(N4)C(=CC=C5)CO

1 reference

2-(4-{6-[(3s)-3,4-Dimethylpiperazin-1-Yl]-4-Methylpyridin-3-Yl}phenyl)-8-(Hydroxymethyl)quinazolin-4(3h)-One (English)

InChI=1S/C27H29N5O2/c1-17-13-24(32-12-11-31(3)18(2)15-32)28-14-23(17)19-7-9-20(10-8-19)26-29-25-21(16-33)5-4-6-22(25)27(34)30-26/h4-10,13-14,18,33H,11-12,15-16H2,1-3H3,(H,29,30,34)/t18-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

2-(4-{6-[(3s)-3,4-Dimethylpiperazin-1-Yl]-4-Methylpyridin-3-Yl}phenyl)-8-(Hydroxymethyl)quinazolin-4(3h)-One (English)

CFSYLGXBPQXCCL-SFHVURJKSA-N

19 October 2016

InChIKey

1 reference

2-(4-{6-[(3s)-3,4-Dimethylpiperazin-1-Yl]-4-Methylpyridin-3-Yl}phenyl)-8-(Hydroxymethyl)quinazolin-4(3h)-One (English)

19 October 2016

1 reference

2-(4-{6-[(3S)-3,4-Dimethyl-1-piperazinyl]-4-methyl-3-pyridinyl}phenyl)-8-(hydroxymethyl)-4(3H)-quinazolinone (English)

19 October 2016

1 reference

2-(4-{6-[(3s)-3,4-Dimethylpiperazin-1-Yl]-4-Methylpyridin-3-Yl}phenyl)-8-(Hydroxymethyl)quinazolin-4(3h)-One (English)

matched by identifier from

19 October 2016

135566983

1 reference

InChIKey

CFSYLGXBPQXCCL-SFHVURJKSA-N

0 references

1 reference

4W6E (English)