4-[[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholinoethyl)benzamide CAS Name: 4-[[[4-chloro-6-[phenethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-[[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(2-morpholinoethyl)benzamide Formula: C33H36ClN5O2S MolecularWeight: 602.18924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C33H36ClN5O2S/c34-30-23-31(39(24-27-9-5-2-6-10-27)17-15-26-7-3-1-4-8-26)37-33(36-30)42-25-28-11-13-29(14-12-28)32(40)35-16-18-38-19-21-41-22-20-38/h1-14,23H,15-22,24-25H2,(H,35,40)