2-[2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-[1-(3-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-keto-2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-1H-pyrimidin-6-one Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C19H19N3O3S/c1-12-9-16(17(23)11-26-19-20-8-7-18(24)21-19)13(2)22(12)14-5-4-6-15(10-14)25-3/h4-10H,11H2,1-3H3,(H,20,21,24)