5,7-dibutyl-2-(phenylmethyl)sulfonyl-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 5,7-dibutyl-2-(phenylmethyl)sulfonyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 2-benzylsulfonyl-5,7-dibutyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 5,7-dibutyl-2-(phenylmethyl)sulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 2-benzylsulfonyl-5,7-dibutylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 2-benzylsulfonyl-5,7-dibutyl-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NN(C=C2C(=O)N(C1=O)CCCC)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=NN(C=C2C(=O)N(C1=O)CCCC)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c1-3-5-12-22-18-17(19(25)23(20(22)26)13-6-4-2)14-24(21-18)29(27,28)15-16-10-8-7-9-11-16/h7-11,14H,3-6,12-13,15H2,1-2H3