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

Systemtic Name: 3-ethyl-7-(1-methoxyethyl)-1-(4-phosphonatobutyl)purine-2,6-dione Openeye Name: 3-ethyl-7-(1-methoxyethyl)-1-(4-phosphonatobutyl)purine-2,6-dione CAS Name: 3-ethyl-7-(1-methoxyethyl)-1-(4-phosphonatobutyl)purine-2,6-dione IUPAC Name: 3-ethyl-7-(1-methoxyethyl)-1-(4-phosphonatobutyl)purine-2,6-dione Traditional Name: 3-ethyl-7-(1-methoxyethyl)-1-(4-phosphonatobutyl)xanthine Formula: C14H21N4O6P-2 MolecularWeight: 372.313501

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)([O-])[O-])N(C=N2)C(C)OC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)([O-])[O-])N(C=N2)C(C)OC

InChI

InChI=1S/C14H23N4O6P/c1-4-16-12-11(18(9-15-12)10(2)24-3)13(19)17(14(16)20)7-5-6-8-25(21,22)23/h9-10H,4-8H2,1-3H3,(H2,21,22,23)/p-2