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

Systemtic Name: N-(cyclopropylmethyl)-3-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide CAS Name: N-(cyclopropylmethyl)-3-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(cyclopropylmethyl)benzamide Formula: C29H35N5OS MolecularWeight: 501.6861

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H35N5OS/c1-2-26-18-27(34-15-13-33(14-16-34)20-23-7-4-3-5-8-23)32-29(31-26)36-21-24-9-6-10-25(17-24)28(35)30-19-22-11-12-22/h3-10,17-18,22H,2,11-16,19-21H2,1H3,(H,30,35)