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

Systemtic Name: 5-[[(2,5-dimethoxyphenyl)-methyl-amino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(2,5-dimethoxy-N-methyl-anilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(2,5-dimethoxy-N-methylanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(2,5-dimethoxy-N-methylanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl-(2,5-dimethoxyphenyl)-methyl-amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CNC2=C1C(=NC(=N2)N)N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN(CC1=CNC2=C1C(=NC(=N2)N)N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)