3-methyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione Openeye Name: 3-methyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione CAS Name: 3-methyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione IUPAC Name: 3-methyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione Traditional Name: 3-methyl-1-(4-phosphonatobutyl)-7H-purine-2,6-quinone Formula: C10H13N4O5P-2 MolecularWeight: 300.207781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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