6-azanyl-3-methyl-1-(phenylmethyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-methyl-1-(phenylmethyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-methyl-5-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]pyrimidine-2,4-quinone Formula: C16H16N6O3S MolecularWeight: 372.40164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=NN3

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C16H16N6O3S/c1-21-14(24)12(11(23)8-26-15-18-9-19-20-15)13(17)22(16(21)25)7-10-5-3-2-4-6-10/h2-6,9H,7-8,17H2,1H3,(H,18,19,20)