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

Systemtic Name: 3-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide CAS Name: 3-[[[4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide Traditional Name: N-benzyl-3-[[[4-ethyl-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C33H37N5O2S MolecularWeight: 567.74418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H37N5O2S/c1-4-28-22-31(38-19-17-37(18-20-38)29-13-15-30(40-3)16-14-29)35-33(34-28)41-24-26-11-8-12-27(21-26)32(39)36(2)23-25-9-6-5-7-10-25/h5-16,21-22H,4,17-20,23-24H2,1-3H3