2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-D]pyrimidin-4(1H)-one (Q27451887)

CHEMBL2346800 (English)

19 October 2016

chemical formula

C₂₆H₂₄ClN₅O

1 reference

CHEMBL2346800 (English)

19 October 2016

canonical SMILES

CC1(CC2=C(C=CC(=C2)Cl)C(=N1)NC(CC3=CC=CC=C3)C4=NC(=O)C5=C(N4)C=CN=C5)C

1 reference

CHEMBL2346800 (English)

19 October 2016

isomeric SMILES

CC1(CC2=C(C=CC(=C2)Cl)C(=N1)N[C@@H](CC3=CC=CC=C3)C4=NC(=O)C5=C(N4)C=CN=C5)C

1 reference

CHEMBL2346800 (English)

InChI=1S/C26H24ClN5O/c1-26(2)14-17-13-18(27)8-9-19(17)23(32-26)30-22(12-16-6-4-3-5-7-16)24-29-21-10-11-28-15-20(21)25(33)31-24/h3-11,13,15,22H,12,14H2,1-2H3,(H,30,32)(H,29,31,33)/t22-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2346800 (English)

DQYKHJYAOKSEPD-QFIPXVFZSA-N

19 October 2016

InChIKey

1 reference

CHEMBL2346800 (English)

19 October 2016

1 reference

2-{(1S)-1-[(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one (English)

19 October 2016

1 reference

CHEMBL2346800 (English)

matched by identifier from

19 October 2016

135566787

1 reference

InChIKey

DQYKHJYAOKSEPD-QFIPXVFZSA-N

1 reference

CHEMBL2346800 (English)

19 October 2016

0 references

1 reference

4I10 (English)