N-[(3-methoxyphenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-m-anisyl-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c1-31-21-9-5-6-19(14-21)16-25-23(30)17-32-24-15-22(26-18-27-24)29-12-10-28(11-13-29)20-7-3-2-4-8-20/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,25,30)