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7-(ethoxymethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione

7-(ethoxymethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione

Systemtic Name:7-(ethoxymethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione
Openeye Name:7-(ethoxymethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione
CAS Name:7-(ethoxymethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione
IUPAC Name:7-(ethoxymethyl)-3-methyl-1-(3-phosphonatopropyl)purine-2,6-dione
Traditional Name:7-(ethoxymethyl)-3-methyl-1-(3-phosphonatopropyl)xanthine
Formula: C12H17N4O6P-2
MolecularWeight: 344.260341
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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCP(=O)([O-])[O-]


Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCP(=O)([O-])[O-]


InChI

InChI=1S/C12H19N4O6P/c1-3-22-8-15-7-13-10-9(15)11(17)16(12(18)14(10)2)5-4-6-23(19,20)21/h7H,3-6,8H2,1-2H3,(H2,19,20,21)/p-2


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