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

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

Systemtic Name:3-methyl-7-(phenylmethyl)-1-(5-phosphonatopentyl)purine-2,6-dione
Openeye Name:7-benzyl-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
CAS Name:3-methyl-7-(phenylmethyl)-1-(5-phosphonatopentyl)purine-2,6-dione
IUPAC Name:7-benzyl-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
Traditional Name:7-benzyl-3-methyl-1-(5-phosphonatopentyl)xanthine
Formula: C18H21N4O5P-2
MolecularWeight: 404.356901
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCCP(=O)([O-])[O-])N(C=N2)CC3=CC=CC=C3


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCCP(=O)([O-])[O-])N(C=N2)CC3=CC=CC=C3


InChI

InChI=1S/C18H23N4O5P/c1-20-16-15(21(13-19-16)12-14-8-4-2-5-9-14)17(23)22(18(20)24)10-6-3-7-11-28(25,26)27/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H2,25,26,27)/p-2


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