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

Systemtic Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-isopropoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-isopropoxypropyl)quinazolin-4-one Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC(C)C

InChI

InChI=1S/C25H31N3O3S/c1-16(2)31-13-7-12-27-24(30)20-8-5-6-9-22(20)26-25(27)32-15-23(29)21-14-17(3)28(18(21)4)19-10-11-19/h5-6,8-9,14,16,19H,7,10-13,15H2,1-4H3