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

Systemtic Name: methyl 4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate Openeye Name: methyl 4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate CAS Name: 4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate Traditional Name: 4-[[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=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

Isomeric SMILES

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

InChI

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