3-methyl-4-(4-nitrophenyl)-1-(8-oxidanylquinolin-5-yl)sulfonyl-4,5-dihydro-3aH-pyrazolo[3,4-d]pyrimidine-6-thione

Systemtic Name: 3-methyl-4-(4-nitrophenyl)-1-(8-oxidanylquinolin-5-yl)sulfonyl-4,5-dihydro-3aH-pyrazolo[3,4-d]pyrimidine-6-thione Openeye Name: 1-[(8-hydroxy-5-quinolyl)sulfonyl]-3-methyl-4-(4-nitrophenyl)-4,5-dihydro-3aH-pyrazolo[3,4-d]pyrimidine-6-thione CAS Name: 1-[(8-hydroxy-5-quinolinyl)sulfonyl]-3-methyl-4-(4-nitrophenyl)-4,5-dihydro-3aH-pyrazolo[3,4-d]pyrimidine-6-thione IUPAC Name: 1-(8-hydroxyquinolin-5-yl)sulfonyl-3-methyl-4-(4-nitrophenyl)-4,5-dihydro-3aH-pyrazolo[3,4-d]pyrimidine-6-thione Traditional Name: 1-[(8-hydroxy-5-quinolyl)sulfonyl]-3-methyl-4-(4-nitrophenyl)-4,5-dihydro-3aH-pyrazolo[3,4-d]pyrimidine-6-thione Formula: C21H16N6O5S2 MolecularWeight: 496.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=S)NC(C12)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O

Isomeric SMILES

CC1=NN(C2=NC(=S)NC(C12)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O

InChI

InChI=1S/C21H16N6O5S2/c1-11-17-18(12-4-6-13(7-5-12)27(29)30)23-21(33)24-20(17)26(25-11)34(31,32)16-9-8-15(28)19-14(16)3-2-10-22-19/h2-10,17-18,28H,1H3,(H,23,33)