5,7-dibutyl-2-quinolin-8-ylsulfonyl-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 5,7-dibutyl-2-quinolin-8-ylsulfonyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 5,7-dibutyl-2-(8-quinolylsulfonyl)pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 5,7-dibutyl-2-(8-quinolinylsulfonyl)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 5,7-dibutyl-2-(8-quinolylsulfonyl)pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NN(C=C2C(=O)N(C1=O)CCCC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCCN1C2=NN(C=C2C(=O)N(C1=O)CCCC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H25N5O4S/c1-3-5-13-25-20-17(21(28)26(22(25)29)14-6-4-2)15-27(24-20)32(30,31)18-11-7-9-16-10-8-12-23-19(16)18/h7-12,15H,3-6,13-14H2,1-2H3