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

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(piperidin-4-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-piperidylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-piperidinylamino)-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(piperidin-4-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-piperidylamino)pyrimidin-2-yl]thio]phenyl]propionamide Formula: C22H28N8OS MolecularWeight: 452.57572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3CCNCC3)NC4=NNC(=C4)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3CCNCC3)NC4=NNC(=C4)C

InChI

InChI=1S/C22H28N8OS/c1-3-21(31)25-15-4-6-17(7-5-15)32-22-27-18(24-16-8-10-23-11-9-16)13-19(28-22)26-20-12-14(2)29-30-20/h4-7,12-13,16,23H,3,8-11H2,1-2H3,(H,25,31)(H3,24,26,27,28,29,30)