1,3-dimethyl-8-[(E)-pent-1-enyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(E)-pent-1-enyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(E)-pent-1-enyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(E)-pent-1-enyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(E)-pent-1-enyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(E)-pent-1-enyl]-7H-purine-2,6-quinone Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC/C=C/C1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H16N4O2/c1-4-5-6-7-8-13-9-10(14-8)15(2)12(18)16(3)11(9)17/h6-7H,4-5H2,1-3H3,(H,13,14)/b7-6+