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

Systemtic Name: 4-[[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 4-[[[4-chloro-6-[phenethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 4-[[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C35H33ClN4OS MolecularWeight: 593.18072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C35H33ClN4OS/c36-32-24-33(40(25-29-14-8-3-9-15-29)23-21-28-12-6-2-7-13-28)39-35(38-32)42-26-30-16-18-31(19-17-30)34(41)37-22-20-27-10-4-1-5-11-27/h1-19,24H,20-23,25-26H2,(H,37,41)