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

Systemtic Name: N-butan-2-yl-3-[[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-[[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C27H32ClN5O2S MolecularWeight: 526.09328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H32ClN5O2S/c1-4-19(2)29-26(34)21-7-5-6-20(16-21)18-36-27-30-24(28)17-25(31-27)33-14-12-32(13-15-33)22-8-10-23(35-3)11-9-22/h5-11,16-17,19H,4,12-15,18H2,1-3H3,(H,29,34)