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

Systemtic Name: N-cyclopropyl-4-[[4-[methyl-(phenylmethyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-[benzyl(methyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-4-[[[4-[methyl-(phenylmethyl)amino]-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 4-[[4-[benzyl(methyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[4-[benzyl(methyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C29H28N4OS MolecularWeight: 480.62382

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5CC5

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5CC5

InChI

InChI=1S/C29H28N4OS/c1-33(19-21-8-4-2-5-9-21)27-18-26(23-10-6-3-7-11-23)31-29(32-27)35-20-22-12-14-24(15-13-22)28(34)30-25-16-17-25/h2-15,18,25H,16-17,19-20H2,1H3,(H,30,34)