(4S)-4-methyl-5-(2-pyrimidin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-(2-pyrimidin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-(2-pyrimidylthio)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H16N4O2S/c1-11-9-14(21)19-12-5-2-3-6-13(12)20(11)15(22)10-23-16-17-7-4-8-18-16/h2-8,11H,9-10H2,1H3,(H,19,21)/t11-/m0/s1