8-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H13N9O2S MolecularWeight: 371.37712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C14H13N9O2S/c1-21-10-8(11(24)22(2)14(21)25)17-12(18-10)26-13-20-19-9(23(13)15)7-4-3-5-16-6-7/h3-6H,15H2,1-2H3,(H,17,18)