1,3-dimethyl-7-(3-phosphonatopropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-phosphonatopropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(3-phosphonatopropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-phosphonatopropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-phosphonatopropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-phosphonatopropyl)xanthine Formula: C10H13N4O5P-2 MolecularWeight: 300.207781

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCP(=O)([O-])[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCP(=O)([O-])[O-]

InChI

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