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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCP(=O)([O-])[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCP(=O)([O-])[O-]

InChI

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