2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H23N3O2S MolecularWeight: 345.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)CC=C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)CC=C)C

InChI

InChI=1S/C18H23N3O2S/c1-5-7-14-10-17(23)20-18(19-14)24-11-16(22)15-9-12(3)21(8-6-2)13(15)4/h6,9-10H,2,5,7-8,11H2,1,3-4H3,(H,19,20,23)