8-(butylamino)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(butylamino)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(butylamino)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-1,3,7-trimethyl-xanthine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H19N5O2/c1-5-6-7-13-11-14-9-8(15(11)2)10(18)17(4)12(19)16(9)3/h5-7H2,1-4H3,(H,13,14)