N-(cyclopropylmethyl)-3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(cyclopropylmethyl)-3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide CAS Name: N-(cyclopropylmethyl)-3-[[[4-methyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(cyclopropylmethyl)benzamide Formula: C28H33N5OS MolecularWeight: 487.65952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N5OS/c1-21-16-26(33-14-12-32(13-15-33)19-23-6-3-2-4-7-23)31-28(30-21)35-20-24-8-5-9-25(17-24)27(34)29-18-22-10-11-22/h2-9,16-17,22H,10-15,18-20H2,1H3,(H,29,34)