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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C3=C4C(=CC=C3)N=C(N=C4N)SC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CC1C2=CC(=NN2)C3=C4C(=CC=C3)N=C(N=C4N)SC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C21H17N5O2S/c22-19-18-14(17-10-16(25-26-17)11-7-8-11)5-2-6-15(18)23-21(24-19)29-13-4-1-3-12(9-13)20(27)28/h1-6,9-11H,7-8H2,(H,25,26)(H,27,28)(H2,22,23,24)