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

Systemtic Name: methyl 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate Openeye Name: methyl 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate CAS Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate Traditional Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]benzoic acid methyl ester Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

InChI

InChI=1S/C22H19N5O2S/c1-29-21(28)14-5-4-6-15(11-14)30-22-23-17-8-3-2-7-16(17)20(25-22)24-19-12-18(26-27-19)13-9-10-13/h2-8,11-13H,9-10H2,1H3,(H2,23,24,25,26,27)