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

Systemtic Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC)C

InChI

InChI=1S/C22H27N3O2S/c1-5-11-24-15(3)13-18(16(24)4)20(26)14-28-22-23-19-10-8-7-9-17(19)21(27)25(22)12-6-2/h7-10,13H,5-6,11-12,14H2,1-4H3