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

Systemtic Name: N-ethyl-4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-ethyl-4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-ethyl-4-[[[4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-ethyl-4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-ethyl-4-[[[4-ethyl-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H33N5O2S/c1-4-22-18-25(32-16-14-31(15-17-32)23-10-12-24(34-3)13-11-23)30-27(29-22)35-19-20-6-8-21(9-7-20)26(33)28-5-2/h6-13,18H,4-5,14-17,19H2,1-3H3,(H,28,33)