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

Systemtic Name: 1,3-dimethyl-8-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine-2,6-dione Openeye Name: 8-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine-2,6-dione Traditional Name: 8-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H16N8O2S MolecularWeight: 396.42634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3CC=C)C4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3CC=C)C4=CN=CC=C4

InChI

InChI=1S/C17H16N8O2S/c1-4-8-25-12(10-6-5-7-18-9-10)21-22-16(25)28-15-19-11-13(20-15)23(2)17(27)24(3)14(11)26/h4-7,9H,1,8H2,2-3H3,(H,19,20)