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

Systemtic Name: 1-(1-methoxyethyl)-3-methyl-7-(4-phosphonatobutyl)purine-2,6-dione Openeye Name: 1-(1-methoxyethyl)-3-methyl-7-(4-phosphonatobutyl)purine-2,6-dione CAS Name: 1-(1-methoxyethyl)-3-methyl-7-(4-phosphonatobutyl)purine-2,6-dione IUPAC Name: 1-(1-methoxyethyl)-3-methyl-7-(4-phosphonatobutyl)purine-2,6-dione Traditional Name: 1-(1-methoxyethyl)-3-methyl-7-(4-phosphonatobutyl)xanthine Formula: C13H19N4O6P-2 MolecularWeight: 358.286921

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C(=O)C2=C(N=CN2CCCCP(=O)([O-])[O-])N(C1=O)C)OC

Isomeric SMILES

CC(N1C(=O)C2=C(N=CN2CCCCP(=O)([O-])[O-])N(C1=O)C)OC

InChI

InChI=1S/C13H21N4O6P/c1-9(23-3)17-12(18)10-11(15(2)13(17)19)14-8-16(10)6-4-5-7-24(20,21)22/h8-9H,4-7H2,1-3H3,(H2,20,21,22)/p-2