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

Systemtic Name: 7-butylsulfanyl-9-oxidanylidene-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Openeye Name: 7-butylsulfanyl-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid CAS Name: 7-(butylthio)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid IUPAC Name: 7-butylsulfanyl-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Traditional Name: 7-(butylthio)-9-keto-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C=C1)N=C3C=C(NN3C2=O)C(=O)O

Isomeric SMILES

CCCCSC1=CC2=C(C=C1)N=C3C=C(NN3C2=O)C(=O)O

InChI

InChI=1S/C15H15N3O3S/c1-2-3-6-22-9-4-5-11-10(7-9)14(19)18-13(16-11)8-12(17-18)15(20)21/h4-5,7-8,17H,2-3,6H2,1H3,(H,20,21)