1-butyl-3-methyl-5-phosphonato-purine-2,6-dione

Systemtic Name: 1-butyl-3-methyl-5-phosphonato-purine-2,6-dione Openeye Name: 1-butyl-3-methyl-5-phosphonato-purine-2,6-dione CAS Name: 1-butyl-3-methyl-5-phosphonatopurine-2,6-dione IUPAC Name: 1-butyl-3-methyl-5-phosphonatopurine-2,6-dione Traditional Name: 1-butyl-3-methyl-5-phosphonato-xanthine Formula: C10H13N4O5P-2 MolecularWeight: 300.207781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2(C(=NC=N2)N(C1=O)C)P(=O)([O-])[O-]

Isomeric SMILES

CCCCN1C(=O)C2(C(=NC=N2)N(C1=O)C)P(=O)([O-])[O-]

InChI

InChI=1S/C10H15N4O5P/c1-3-4-5-14-8(15)10(20(17,18)19)7(11-6-12-10)13(2)9(14)16/h6H,3-5H2,1-2H3,(H2,17,18,19)/p-2