5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-15-18(14-19(25)24-12-8-3-4-9-13-24)20(26)23-21(22-15)27-16(2)17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H,22,23,26)