2-[2-oxidanylidene-2-(1-propylindol-3-yl)ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-oxidanylidene-2-(1-propylindol-3-yl)ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-oxo-2-(1-propylindol-3-yl)ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-oxo-2-(1-propyl-3-indolyl)ethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-oxo-2-(1-propylindol-3-yl)ethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-keto-2-(1-propylindol-3-yl)ethyl]thio]-1H-pyrimidin-6-one Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C17H17N3O2S/c1-2-9-20-10-13(12-5-3-4-6-14(12)20)15(21)11-23-17-18-8-7-16(22)19-17/h3-8,10H,2,9,11H2,1H3,(H,18,19,22)