1,3-dimethyl-6-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyrimidine-2,4-dione Openeye Name: 6-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]pyrimidine-2,4-dione IUPAC Name: 6-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3S/c1-19-12(8-13(22)20(2)16(19)24)10-25-15-18-17-14(23)21(15)9-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,17,23)