7-ethanoyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-ethanoyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-acetyl-1,3-dipropyl-purine-2,6-dione CAS Name: 7-acetyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-acetyl-1,3-dipropylpurine-2,6-dione Traditional Name: 7-acetyl-1,3-dipropyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c1-4-6-15-11-10(17(8-14-11)9(3)18)12(19)16(7-5-2)13(15)20/h8H,4-7H2,1-3H3