7-(3-methylbutyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-(3-methylbutyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-isopentyl-purine-2,6-dione CAS Name: 7-(3-methylbutyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(3-methylbutyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-isobutyl-xanthine Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)NC(=O)N2CC(C)C

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)NC(=O)N2CC(C)C

InChI

InChI=1S/C14H22N4O2/c1-9(2)5-6-17-8-15-12-11(17)13(19)16-14(20)18(12)7-10(3)4/h8-10H,5-7H2,1-4H3,(H,16,19,20)