3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C28H27ClN4OS MolecularWeight: 503.05818

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H27ClN4OS/c1-33(19-22-11-6-3-7-12-22)26-18-25(29)31-28(32-26)35-20-23-13-8-14-24(17-23)27(34)30-16-15-21-9-4-2-5-10-21/h2-14,17-18H,15-16,19-20H2,1H3,(H,30,34)