6-azanyl-1,3-dimethyl-5-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C18H20N6O4S/c1-22-14(19)13(15(26)23(2)18(22)28)12(25)10-29-17-21-20-16(27)24(17)9-8-11-6-4-3-5-7-11/h3-7H,8-10,19H2,1-2H3,(H,20,27)