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

Systemtic Name: N-[4-[4-(2-azanylethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(2-aminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(2-aminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(2-aminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(2-aminoethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C19H24N8OS MolecularWeight: 412.51186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N8OS/c1-3-18(28)22-13-4-6-14(7-5-13)29-19-24-15(21-9-8-20)11-16(25-19)23-17-10-12(2)26-27-17/h4-7,10-11H,3,8-9,20H2,1-2H3,(H,22,28)(H3,21,23,24,25,26,27)