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7-(1-methoxyethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione

7-(1-methoxyethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione

Systemtic Name:7-(1-methoxyethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
Openeye Name:7-(1-methoxyethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
CAS Name:7-(1-methoxyethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
IUPAC Name:7-(1-methoxyethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
Traditional Name:7-(1-methoxyethyl)-3-methyl-1-(5-phosphonatopentyl)xanthine
Formula: C14H21N4O6P-2
MolecularWeight: 372.313501
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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