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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=C3C(=CC=C2)N=C(N=C3N)SC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=NN1)C2=C3C(=CC=C2)N=C(N=C3N)SC4=CC=C(C=C4)C(=O)O

InChI

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