1,3-dimethyl-8-(2-methylpropylamino)-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-methylpropylamino)-7-propyl-purine-2,6-dione Openeye Name: 8-(isobutylamino)-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-methylpropylamino)-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-methylpropylamino)-7-propylpurine-2,6-dione Traditional Name: 8-(isobutylamino)-1,3-dimethyl-7-propyl-xanthine Formula: C14H23N5O2 MolecularWeight: 293.36472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NCC(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1NCC(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H23N5O2/c1-6-7-19-10-11(16-13(19)15-8-9(2)3)17(4)14(21)18(5)12(10)20/h9H,6-8H2,1-5H3,(H,15,16)