2-methyl-7-(5-oxidanylidenehexyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 2-methyl-7-(5-oxidanylidenehexyl)pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 2-methyl-7-(5-oxohexyl)pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 2-methyl-7-(5-oxohexyl)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 2-methyl-7-(5-oxohexyl)pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 7-(5-ketohexyl)-2-methyl-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C2=NN(C=C2C(=O)NC1=O)C

Isomeric SMILES

CC(=O)CCCCN1C2=NN(C=C2C(=O)NC1=O)C

InChI

InChI=1S/C12H16N4O3/c1-8(17)5-3-4-6-16-10-9(7-15(2)14-10)11(18)13-12(16)19/h7H,3-6H2,1-2H3,(H,13,18,19)