3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-2-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-benzylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-(benzylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=C(CCC3)N=C2SCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=C(CCC3)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S/c26-20(24-13-6-1-2-7-14-24)15-25-21(27)18-11-8-12-19(18)23-22(25)28-16-17-9-4-3-5-10-17/h3-5,9-10H,1-2,6-8,11-16H2