3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-6-methyl-pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-benzylsulfanyl-6-methylpyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-(benzylthio)-6-methyl-pyrimidin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O2S/c1-16-13-18(24)23(14-19(25)22-11-7-2-3-8-12-22)20(21-16)26-15-17-9-5-4-6-10-17/h4-6,9-10,13H,2-3,7-8,11-12,14-15H2,1H3