3-methyl-8-(2-methylpropylamino)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylamino)-7-propyl-purine-2,6-dione Openeye Name: 8-(isobutylamino)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylamino)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpropylamino)-7-propylpurine-2,6-dione Traditional Name: 8-(isobutylamino)-3-methyl-7-propyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1NCC(C)C)N(C(=O)NC2=O)C

InChI

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