3-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC2CCC3=CC=CC=C3NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC2CCC3=CC=CC=C3NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-14-17(13-15-7-3-2-4-8-15)20(26)25-22(23-14)28-19-12-11-16-9-5-6-10-18(16)24-21(19)27/h2-10,19H,11-13H2,1H3,(H,24,27)(H,23,25,26)