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

Systemtic Name: N-[4-[4-(2-dimethylaminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(2-dimethylaminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(2-dimethylaminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(2-dimethylaminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(2-dimethylaminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C21H28N8OS MolecularWeight: 440.56502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N8OS/c1-5-20(30)23-15-6-8-16(9-7-15)31-21-25-17(22-10-11-29(3)4)13-18(26-21)24-19-12-14(2)27-28-19/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,30)(H3,22,24,25,26,27,28)