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

Systemtic Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(1-piperazinyl)-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-piperazino-pyrimidin-2-yl]thio]phenyl]propionamide Formula: C23H28N8OS MolecularWeight: 464.58642

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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)N5CCNCC5

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C4CC4)N5CCNCC5

InChI

InChI=1S/C23H28N8OS/c1-2-22(32)25-16-5-7-17(8-6-16)33-23-27-19(14-21(28-23)31-11-9-24-10-12-31)26-20-13-18(29-30-20)15-3-4-15/h5-8,13-15,24H,2-4,9-12H2,1H3,(H,25,32)(H2,26,27,28,29,30)