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

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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)C3=CC=CC=C3)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-4-8-16-12-20(26)23-21(22-16)27-13-19(25)18-11-14(2)24(15(18)3)17-9-6-5-7-10-17/h5-7,9-12H,4,8,13H2,1-3H3,(H,22,23,26)