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

Systemtic Name: 1-[[4-(5-azanyl-1,3,4-thiadiazol-2-yl)phenyl]methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)benzyl]-3,7-dimethyl-xanthine Formula: C16H15N7O2S MolecularWeight: 369.401

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C4=NN=C(S4)N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C4=NN=C(S4)N

InChI

InChI=1S/C16H15N7O2S/c1-21-8-18-12-11(21)14(24)23(16(25)22(12)2)7-9-3-5-10(6-4-9)13-19-20-15(17)26-13/h3-6,8H,7H2,1-2H3,(H2,17,20)