(phenylmethyl) 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylethanoate Openeye Name: benzyl 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetic acid benzyl ester Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c28-23(29-16-19-7-3-1-4-8-19)17-30-22-15-21(24-18-25-22)27-13-11-26(12-14-27)20-9-5-2-6-10-20/h1-10,15,18H,11-14,16-17H2