N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-yl-1-piperidyl)pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-pyrrolidinopiperidino)pyrimidin-2-yl]thio]phenyl]propionamide Formula: C28H36N8OS MolecularWeight: 532.70344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C4CC4)N5CCC(CC5)N6CCCC6

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C4CC4)N5CCC(CC5)N6CCCC6

InChI

InChI=1S/C28H36N8OS/c1-2-27(37)29-20-7-9-22(10-8-20)38-28-31-24(30-25-17-23(33-34-25)19-5-6-19)18-26(32-28)36-15-11-21(12-16-36)35-13-3-4-14-35/h7-10,17-19,21H,2-6,11-16H2,1H3,(H,29,37)(H2,30,31,32,33,34)