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

Systemtic Name: 7-ethyl-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 7-ethyl-8-(isobutylamino)-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 7-ethyl-8-(isobutylamino)-3-methyl-xanthine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1NCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H19N5O2/c1-5-17-8-9(14-11(17)13-6-7(2)3)16(4)12(19)15-10(8)18/h7H,5-6H2,1-4H3,(H,13,14)(H,15,18,19)