4-methyl-1-(2-pyrimidin-2-ylsulfanylethanoyl)-3H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 4-methyl-1-(2-pyrimidin-2-ylsulfanylethanoyl)-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 4-methyl-1-(2-pyrimidin-2-ylsulfanylacetyl)-3H-1,4-benzodiazepine-2,5-dione CAS Name: 4-methyl-1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 4-methyl-1-(2-pyrimidin-2-ylsulfanylacetyl)-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 4-methyl-1-[2-(2-pyrimidylthio)acetyl]-3H-1,4-benzodiazepine-2,5-quinone Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C2=CC=CC=C2C1=O)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CN1CC(=O)N(C2=CC=CC=C2C1=O)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H14N4O3S/c1-19-9-13(21)20(12-6-3-2-5-11(12)15(19)23)14(22)10-24-16-17-7-4-8-18-16/h2-8H,9-10H2,1H3