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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCP(=O)([O-])[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCP(=O)([O-])[O-]

InChI

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