methyl 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylbenzoate Openeye Name: methyl 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylbenzoate CAS Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenyl-2-pyrimidinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanylbenzoate Traditional Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]thio]benzoic acid methyl ester Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N5O2S/c1-31-23(30)17-8-5-9-18(12-17)32-24-25-19(15-6-3-2-4-7-15)13-21(27-24)26-22-14-20(28-29-22)16-10-11-16/h2-9,12-14,16H,10-11H2,1H3,(H2,25,26,27,28,29)