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

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(1-azepanyl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-(azepan-1-yl)-2-keto-ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S/c1-26-17-8-6-7-15(11-17)14-27-20-21-16(12-18(24)22-20)13-19(25)23-9-4-2-3-5-10-23/h6-8,11-12H,2-5,9-10,13-14H2,1H3,(H,21,22,24)