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

Systemtic Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5OC

InChI

InChI=1S/C26H25N3O3S/c1-16-14-20(17(2)28(16)18-12-13-18)23(30)15-33-26-27-21-9-5-4-8-19(21)25(31)29(26)22-10-6-7-11-24(22)32-3/h4-11,14,18H,12-13,15H2,1-3H3