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SummaryGeometryRelated PDB entries

Q12

Summary
Name:7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
Formula:C17 H18 N4 O2
Formal charge:0
Formula weight:310.35 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
OpenEye OEToolkits1.7.27-(3,4-dimethoxyphenyl)-6-methyl-quinazoline-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3c1c(cc(c(c1)c2ccc(OC)c(OC)c2)C)c(nc3N)N
InChIInChI1.03InChI=1S/C17H18N4O2/c1-9-6-12-13(20-17(19)21-16(12)18)8-11(9)10-4-5-14(22-2)15(7-10)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
InChIKeyInChI1.03UGJMRAQTQALEME-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccc(cc1OC)c2cc3nc(N)nc(N)c3cc2C
SMILESCACTVS3.370COc1ccc(cc1OC)c2cc3nc(N)nc(N)c3cc2C
SMILES_CANONICALOpenEye OEToolkits1.7.2Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N
SMILESOpenEye OEToolkits1.7.2Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N

222415

건을2024-07-10부터공개중

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