2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C18H19N3O2S/c1-3-6-12-9-16(23)21-18(20-12)24-10-15(22)17-11(2)19-14-8-5-4-7-13(14)17/h4-5,7-9,19H,3,6,10H2,1-2H3,(H,20,21,23)