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

Systemtic Name: N-butyl-4-[[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-butyl-benzamide CAS Name: N-butyl-4-[[[4-chloro-6-[phenethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butylbenzamide Traditional Name: 4-[[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-butyl-benzamide Formula: C31H33ClN4OS MolecularWeight: 545.13792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H33ClN4OS/c1-2-3-19-33-30(37)27-16-14-26(15-17-27)23-38-31-34-28(32)21-29(35-31)36(22-25-12-8-5-9-13-25)20-18-24-10-6-4-7-11-24/h4-17,21H,2-3,18-20,22-23H2,1H3,(H,33,37)