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

Systemtic Name: 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoic acid Openeye Name: 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoic acid CAS Name: 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]benzoic acid IUPAC Name: 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]benzoic acid Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H15N5O2S/c1-11-10-16(24-23-11)21-17-14-4-2-3-5-15(14)20-19(22-17)27-13-8-6-12(7-9-13)18(25)26/h2-10H,1H3,(H,25,26)(H2,20,21,22,23,24)