5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-15-18(13-19(25)24-10-5-3-4-6-11-24)20(26)23-21(22-15)28-14-16-8-7-9-17(12-16)27-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H,22,23,26)