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

Systemtic Name: 3-methyl-1-(3-phosphonatopropyl)-7H-purine-2,6-dione Openeye Name: 3-methyl-1-(3-phosphonatopropyl)-7H-purine-2,6-dione CAS Name: 3-methyl-1-(3-phosphonatopropyl)-7H-purine-2,6-dione IUPAC Name: 3-methyl-1-(3-phosphonatopropyl)-7H-purine-2,6-dione Traditional Name: 3-methyl-1-(3-phosphonatopropyl)-7H-purine-2,6-quinone Formula: C9H11N4O5P-2 MolecularWeight: 286.181201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N4O5P/c1-12-7-6(10-5-11-7)8(14)13(9(12)15)3-2-4-19(16,17)18/h5H,2-4H2,1H3,(H,10,11)(H2,16,17,18)/p-2