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

Systemtic Name: 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoic acid Openeye Name: 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoic acid CAS Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]benzoic acid IUPAC Name: 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoic acid Traditional Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]benzoic acid Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=NC4=CC=CC=C43)SC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC4=CC=CC=C43)SC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C21H17N5O2S/c27-20(28)13-4-3-5-14(10-13)29-21-22-16-7-2-1-6-15(16)19(24-21)23-18-11-17(25-26-18)12-8-9-12/h1-7,10-12H,8-9H2,(H,27,28)(H2,22,23,24,25,26)