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

Systemtic Name: 4-[[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[4-chloro-6-[phenethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[4-[benzyl(phenethyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C30H29ClN4OS MolecularWeight: 529.09546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H29ClN4OS/c31-27-19-28(35(20-23-9-5-2-6-10-23)18-17-22-7-3-1-4-8-22)34-30(33-27)37-21-24-11-13-25(14-12-24)29(36)32-26-15-16-26/h1-14,19,26H,15-18,20-21H2,(H,32,36)