8-(hydroxymethyl)-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-(hydroxymethyl)-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-(hydroxymethyl)-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-(hydroxymethyl)-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 7-methyl-8-methylol-1,3-dipropyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)CO)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)CO)C

InChI

InChI=1S/C13H20N4O3/c1-4-6-16-11-10(15(3)9(8-18)14-11)12(19)17(7-5-2)13(16)20/h18H,4-8H2,1-3H3