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

Systemtic Name: 4-[[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4-chloro-6-[phenethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C30H31ClN4OS MolecularWeight: 531.11134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31ClN4OS/c1-22(2)32-29(36)26-15-13-25(14-16-26)21-37-30-33-27(31)19-28(34-30)35(20-24-11-7-4-8-12-24)18-17-23-9-5-3-6-10-23/h3-16,19,22H,17-18,20-21H2,1-2H3,(H,32,36)