YY9

3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one


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Chemical Component Summary

Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Identifiers3-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-1-[1-[(~{E})-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]-7-phenylazanyl-4~{H}-pyrimido[4,5-d]pyrimidin-2-one
FormulaC31 H35 Cl2 N7 O4
Molecular Weight640.56
TypeNON-POLYMER
Isomeric SMILESCN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl
InChIInChI=1S/C31H35Cl2N7O4/c1-37(2)14-8-11-25(41)38-15-12-22(13-16-38)40-29-20(18-34-30(36-29)35-21-9-6-5-7-10-21)19-39(31(40)42)28-26(32)23(43-3)17-24(44-4)27(28)33/h5-11,17-18,22H,12-16,19H2,1-4H3,(H,34,35,36)
InChIKeyYHIGPAIFBVOPKV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count79
Chiral Atom Count0
Bond Count83
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 135317287