3,7-dimethyl-1-pentyl-9H-purine-2,6,8-trione

Systemtic Name: 3,7-dimethyl-1-pentyl-9H-purine-2,6,8-trione Openeye Name: 3,7-dimethyl-1-pentyl-9H-purine-2,6,8-trione CAS Name: 3,7-dimethyl-1-pentyl-9H-purine-2,6,8-trione IUPAC Name: 3,7-dimethyl-1-pentyl-9H-purine-2,6,8-trione Traditional Name: 1-amyl-3,7-dimethyl-9H-purine-2,6,8-trione Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(NC(=O)N2C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(NC(=O)N2C)N(C1=O)C

InChI

InChI=1S/C12H18N4O3/c1-4-5-6-7-16-10(17)8-9(15(3)12(16)19)13-11(18)14(8)2/h4-7H2,1-3H3,(H,13,18)