1-(3-methylbutyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(3-methylbutyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-isopentyl-3,7-dihydropurine-2,6-dione CAS Name: 1-(3-methylbutyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(3-methylbutyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-isoamyl-7H-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(NC1=O)N=CN2

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(NC1=O)N=CN2

InChI

InChI=1S/C10H14N4O2/c1-6(2)3-4-14-9(15)7-8(12-5-11-7)13-10(14)16/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,16)