N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)CN5CCOCC5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)CN5CCOCC5

InChI

InChI=1S/C26H31N5O2S/c1-19-16-20(31-10-4-5-11-31)8-9-22(19)28-25(32)18-34-26-21-6-2-3-7-23(21)27-24(29-26)17-30-12-14-33-15-13-30/h2-3,6-9,16H,4-5,10-15,17-18H2,1H3,(H,28,32)