N-cyclopropyl-4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-4-[[[4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-4-[[[4-[4-(4-methoxyphenyl)piperazino]-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C32H33N5O2S MolecularWeight: 551.70172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(C=C5)C(=O)NC6CC6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(C=C5)C(=O)NC6CC6

InChI

InChI=1S/C32H33N5O2S/c1-39-28-15-13-27(14-16-28)36-17-19-37(20-18-36)30-21-29(24-5-3-2-4-6-24)34-32(35-30)40-22-23-7-9-25(10-8-23)31(38)33-26-11-12-26/h2-10,13-16,21,26H,11-12,17-20,22H2,1H3,(H,33,38)