7-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(4-amino-6-anilino-s-triazin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C17H17N9O2 MolecularWeight: 379.37598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C17H17N9O2/c1-24-13-12(14(27)25(2)17(24)28)26(9-19-13)8-11-21-15(18)23-16(22-11)20-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,18,20,21,22,23)