5-[6-(5-methyl-1H-pyrazol-4-yl)quinazolin-4-yl]thiophene-2-sulfonic acid

Systemtic Name: 5-[6-(5-methyl-1H-pyrazol-4-yl)quinazolin-4-yl]thiophene-2-sulfonic acid Openeye Name: 5-[6-(5-methyl-1H-pyrazol-4-yl)quinazolin-4-yl]thiophene-2-sulfonic acid CAS Name: 5-[6-(5-methyl-1H-pyrazol-4-yl)-4-quinazolinyl]-2-thiophenesulfonic acid IUPAC Name: 5-[6-(5-methyl-1H-pyrazol-4-yl)quinazolin-4-yl]thiophene-2-sulfonic acid Traditional Name: 5-[6-(5-methyl-1H-pyrazol-4-yl)quinazolin-4-yl]thiophene-2-sulfonic acid Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C2=CC3=C(C=C2)N=CN=C3C4=CC=C(S4)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=NN1)C2=CC3=C(C=C2)N=CN=C3C4=CC=C(S4)S(=O)(=O)O

InChI

InChI=1S/C16H12N4O3S2/c1-9-12(7-19-20-9)10-2-3-13-11(6-10)16(18-8-17-13)14-4-5-15(24-14)25(21,22)23/h2-8H,1H3,(H,19,20)(H,21,22,23)