(4S)-5-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-5-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-10-7-14(18)21-17(19-10)25-9-16(24)22-11(2)8-15(23)20-12-5-3-4-6-13(12)22/h3-7,11H,8-9H2,1-2H3,(H,20,23)(H2,18,19,21)/t11-/m0/s1