N-(2-methoxy-5-methyl-phenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c1-18-8-9-21(31-2)20(14-18)27-23(30)16-32-24-15-22(25-17-26-24)29-12-10-28(11-13-29)19-6-4-3-5-7-19/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,27,30)