2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-1-[2-(2,5-dimethoxyphenyl)pyrrolidino]ethanone Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

InChI

InChI=1S/C25H28N4O3S/c1-31-17-11-12-22(32-2)19(14-17)21-8-5-13-29(21)23(30)15-33-25-27-20-7-4-3-6-18(20)24(28-25)26-16-9-10-16/h3-4,6-7,11-12,14,16,21H,5,8-10,13,15H2,1-2H3,(H,26,27,28)