2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

InChI=1S/C22H27N3O3S/c1-4-10-24-15(2)13-18(16(24)3)20(27)14-29-22-23-19-9-6-5-8-17(19)21(28)25(22)11-7-12-26/h5-6,8-9,13,26H,4,7,10-12,14H2,1-3H3