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

Systemtic Name: N-[4-[4-(3-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(3-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(3-methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(3-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(3-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]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)NC3=NNC(=C3)C)N4CCNC(C4)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCNC(C4)C

InChI

InChI=1S/C22H28N8OS/c1-4-21(31)24-16-5-7-17(8-6-16)32-22-26-18(25-19-11-14(2)28-29-19)12-20(27-22)30-10-9-23-15(3)13-30/h5-8,11-12,15,23H,4,9-10,13H2,1-3H3,(H,24,31)(H2,25,26,27,28,29)