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

Systemtic Name: N-[4-[4-(4-methylpiperazin-1-yl)carbonyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(4-methylpiperazine-1-carbonyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C23H28N8O2S MolecularWeight: 480.58582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)C(=O)N4CCN(CC4)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C23H28N8O2S/c1-4-21(32)24-16-5-7-17(8-6-16)34-23-25-18(22(33)31-11-9-30(3)10-12-31)14-19(27-23)26-20-13-15(2)28-29-20/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,32)(H2,25,26,27,28,29)