8-[1,4-bis(oxidanyl)butan-2-ylamino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[1,4-bis(oxidanyl)butan-2-ylamino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[[3-hydroxy-1-(hydroxymethyl)propyl]amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(1,4-dihydroxybutan-2-ylamino)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(1,4-dihydroxybutan-2-ylamino)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(3-hydroxy-1-methylol-propyl)amino]-1,3,7-trimethyl-xanthine Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC(CCO)CO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NC(CCO)CO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H19N5O4/c1-15-8-9(16(2)12(21)17(3)10(8)20)14-11(15)13-7(6-19)4-5-18/h7,18-19H,4-6H2,1-3H3,(H,13,14)