4-[[9-(4-hydroxycyclohexyl)-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide (Q27165690)

MLS002232305 (English)

9 October 2016

chemical formula

C₂₈H₃₉N₇O₄

1 reference

MLS002232305 (English)

9 October 2016

canonical SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCC(CC5)O)OC

1 reference

MLS002232305 (English)

InChI=1S/C28H39N7O4/c1-33-13-10-19(11-14-33)30-27(38)18-4-9-22(24(16-18)39-3)31-28-29-17-23-26(32-28)35(15-12-25(37)34(23)2)20-5-7-21(36)8-6-20/h4,9,16-17,19-21,36H,5-8,10-15H2,1-3H3,(H,30,38)(H,29,31,32)

9 October 2016

Identifiers

InChI

1 reference

MLS002232305 (English)

BRHMWNJLFOQRIN-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

MLS002232305 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-{[9-(4-Hydroxycyclohexyl)-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide (English)

9 October 2016

2 references

MLS002232305 (English)

matched by identifier from

9 October 2016

InChIKey

BRHMWNJLFOQRIN-UHFFFAOYSA-N

ChEBI ID

93936

mapping relation type

2 references

4-[[9-(4-hydroxycyclohexyl)-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide (English)