1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-(quinazolin-4-ylthio)ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3S/c1-27-15-9-10-20(28-2)17(12-15)19-8-5-11-25(19)21(26)13-29-22-16-6-3-4-7-18(16)23-14-24-22/h3-4,6-7,9-10,12,14,19H,5,8,11,13H2,1-2H3/t19-/m1/s1