9-oxidanylidene-7-propan-2-ylsulfanyl-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-7-propan-2-ylsulfanyl-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Openeye Name: 7-isopropylsulfanyl-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid CAS Name: 9-oxo-7-(propan-2-ylthio)-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid IUPAC Name: 9-oxo-7-propan-2-ylsulfanyl-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Traditional Name: 7-(isopropylthio)-9-keto-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC2=C(C=C1)N=C3C=C(NN3C2=O)C(=O)O

Isomeric SMILES

CC(C)SC1=CC2=C(C=C1)N=C3C=C(NN3C2=O)C(=O)O

InChI

InChI=1S/C14H13N3O3S/c1-7(2)21-8-3-4-10-9(5-8)13(18)17-12(15-10)6-11(16-17)14(19)20/h3-7,16H,1-2H3,(H,19,20)