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

Systemtic Name: N-[4-[4-(4-methylpiperazin-1-yl)carbonyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]acetamide Formula: C22H26N8O2S MolecularWeight: 466.55924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)C(=O)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)C(=O)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C22H26N8O2S/c1-14-12-20(28-27-14)25-19-13-18(21(32)30-10-8-29(3)9-11-30)24-22(26-19)33-17-6-4-16(5-7-17)23-15(2)31/h4-7,12-13H,8-11H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)