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

Systemtic Name: 2,2-dimethyl-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: 2,2-dimethyl-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: 2,2-dimethyl-N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(1-piperazinyl)-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazin-1-ylpyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: 2,2-dimethyl-N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperazino-pyrimidin-2-yl]thio]phenyl]propionamide Formula: C23H30N8OS MolecularWeight: 466.6023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCNCC3)SC4=CC=C(C=C4)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCNCC3)SC4=CC=C(C=C4)NC(=O)C(C)(C)C

InChI

InChI=1S/C23H30N8OS/c1-15-13-19(30-29-15)26-18-14-20(31-11-9-24-10-12-31)28-22(27-18)33-17-7-5-16(6-8-17)25-21(32)23(2,3)4/h5-8,13-14,24H,9-12H2,1-4H3,(H,25,32)(H2,26,27,28,29,30)