N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-phenyl-1-piperazinyl)-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-phenylpiperazino)pyrimidin-2-yl]thio]phenyl]propionamide Formula: C27H30N8OS MolecularWeight: 514.6451

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N8OS/c1-3-26(36)28-20-9-11-22(12-10-20)37-27-30-23(29-24-17-19(2)32-33-24)18-25(31-27)35-15-13-34(14-16-35)21-7-5-4-6-8-21/h4-12,17-18H,3,13-16H2,1-2H3,(H,28,36)(H2,29,30,31,32,33)