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

Systemtic Name: 6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-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-ethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]pyrimidine-2,4-quinone Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=NN3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C17H18N6O3S/c1-2-22-15(25)13(12(24)9-27-16-19-10-20-21-16)14(18)23(17(22)26)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,18H2,1H3,(H,19,20,21)