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

Systemtic Name: 2-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-hydroxyethyl)quinazolin-4-one Openeye Name: 3-(2-hydroxyethyl)-2-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]thio]-3-(2-hydroxyethyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-hydroxyethyl)quinazolin-4-one Traditional Name: 3-(2-hydroxyethyl)-2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCO

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCO

InChI

InChI=1S/C21H25N3O3S/c1-13(2)24-14(3)11-17(15(24)4)19(26)12-28-21-22-18-8-6-5-7-16(18)20(27)23(21)9-10-25/h5-8,11,13,25H,9-10,12H2,1-4H3