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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)([O-])[O-])OC

Isomeric SMILES

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)([O-])[O-])OC

InChI

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