1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione CAS Name: 1-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-4-methyl-3H-1,4-benzodiazepine-2,5-quinone Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2C(=O)CN(C(=O)C3=CC=CC=C32)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2C(=O)CN(C(=O)C3=CC=CC=C32)C)C

InChI

InChI=1S/C18H18N4O3S/c1-11-8-12(2)20-18(19-11)26-10-16(24)22-14-7-5-4-6-13(14)17(25)21(3)9-15(22)23/h4-8H,9-10H2,1-3H3