1,3-dimethyl-8-(methylamino)-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(methylamino)-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 7-isopentyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(methylamino)-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(methylamino)-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 7-isoamyl-1,3-dimethyl-8-(methylamino)xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H21N5O2/c1-8(2)6-7-18-9-10(15-12(18)14-3)16(4)13(20)17(5)11(9)19/h8H,6-7H2,1-5H3,(H,14,15)