8-butan-2-yl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-butan-2-yl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-sec-butyl-purine-2,6-dione CAS Name: 8-butan-2-yl-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-butan-2-yl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-sec-butyl-xanthine Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H18N4O2/c1-6-7(2)9-13-10-8(14(9)3)11(17)16(5)12(18)15(10)4/h7H,6H2,1-5H3