1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione Openeye Name: 3-isopentyl-1,7-dimethyl-purine-2,6-dione CAS Name: 1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione IUPAC Name: 1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-isoamyl-1,7-dimethyl-xanthine Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

Isomeric SMILES

CC(C)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

InChI

InChI=1S/C12H18N4O2/c1-8(2)5-6-16-10-9(14(3)7-13-10)11(17)15(4)12(16)18/h7-8H,5-6H2,1-4H3