8-(2-azanylethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-7-isoamyl-3-methyl-xanthine Formula: C13H22N6O2 MolecularWeight: 294.35278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NCCN)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NCCN)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H22N6O2/c1-8(2)4-7-19-9-10(16-12(19)15-6-5-14)18(3)13(21)17-11(9)20/h8H,4-7,14H2,1-3H3,(H,15,16)(H,17,20,21)