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

Systemtic Name: N-[4-[4-(4-tert-butylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(4-tert-butylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(4-tert-butyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(4-tert-butylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(4-tert-butylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C25H34N8OS MolecularWeight: 494.65546

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N8OS/c1-6-23(34)26-18-7-9-19(10-8-18)35-24-28-20(27-21-15-17(2)30-31-21)16-22(29-24)32-11-13-33(14-12-32)25(3,4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,26,34)(H2,27,28,29,30,31)