N-[4-[4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(4-methyl-1-piperazinyl)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(4-methylpiperazino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]propionamide Formula: C21H26N8OS MolecularWeight: 438.54914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=CC=NN3)N4CCN(CC4)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=CC=NN3)N4CCN(CC4)C

InChI

InChI=1S/C21H26N8OS/c1-3-20(30)23-15-4-6-16(7-5-15)31-21-25-18(24-17-8-9-22-27-17)14-19(26-21)29-12-10-28(2)11-13-29/h4-9,14H,3,10-13H2,1-2H3,(H,23,30)(H2,22,24,25,26,27)