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USI

Summary
Name:~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
Formula:C20 H19 N5 O
Formal charge:0
Formula weight:345.398 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H19N5O/c1-26-16-4-2-3-14(10-16)18-11-19(25-20(21)24-18)23-12-13-5-6-17-15(9-13)7-8-22-17/h2-11,22H,12H2,1H3,(H3,21,23,24,25)
InChIKeyInChI1.06DOZCEYNDPGHGAV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4c3)nc(N)n2
SMILESCACTVS3.385COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4c3)nc(N)n2
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)cc[nH]4
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)cc[nH]4

220472

PDB entries from 2024-05-29

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