5-[[(3,4-dimethoxyphenyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-[[(3,4-dimethoxyphenyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(3,4-dimethoxyanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(3,4-dimethoxyanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4-dimethoxyanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl-(3,4-dimethoxyphenyl)amine Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NCC2=CNC3=C2C(=NC(=N3)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NCC2=CNC3=C2C(=NC(=N3)N)N)OC

InChI

InChI=1S/C15H18N6O2/c1-22-10-4-3-9(5-11(10)23-2)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)