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SummaryGeometryRelated PDB entries

G7R

Summary
Name:4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine
Formula:C31 H36 N4 O6
Formal charge:0
Formula weight:560.641 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine
OpenEye OEToolkits2.0.74-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-quinazolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1ccc(cc1OC)CCNc1nc2cc(OC)c(OC)cc2c(n1)N1Cc2cc(OC)c(cc2CC1)OC
InChIInChI1.03InChI=1S/C31H36N4O6/c1-36-24-8-7-19(13-25(24)37-2)9-11-32-31-33-23-17-29(41-6)28(40-5)16-22(23)30(34-31)35-12-10-20-14-26(38-3)27(39-4)15-21(20)18-35/h7-8,13-17H,9-12,18H2,1-6H3,(H,32,33,34)
InChIKeyInChI1.03PPMZZFZYBXDSRH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CCNc2nc3cc(OC)c(OC)cc3c(n2)N4CCc5cc(OC)c(OC)cc5C4)cc1OC
SMILESCACTVS3.385COc1ccc(CCNc2nc3cc(OC)c(OC)cc3c(n2)N4CCc5cc(OC)c(OC)cc5C4)cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cc1OC)CCNc2nc3cc(c(cc3c(n2)N4CCc5cc(c(cc5C4)OC)OC)OC)OC
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1OC)CCNc2nc3cc(c(cc3c(n2)N4CCc5cc(c(cc5C4)OC)OC)OC)OC

222415

數據於2024-07-10公開中

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