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

Systemtic Name: 3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-3-[[[4-(4-benzylpiperazino)-6-chloro-pyrimidin-2-yl]thio]methyl]benzamide Formula: C28H34ClN5OS MolecularWeight: 524.12046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H34ClN5OS/c1-2-3-7-13-30-27(35)24-12-8-11-23(18-24)21-36-28-31-25(29)19-26(32-28)34-16-14-33(15-17-34)20-22-9-5-4-6-10-22/h4-6,8-12,18-19H,2-3,7,13-17,20-21H2,1H3,(H,30,35)