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

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

Systemtic Name:7-(cyclopropylmethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
Openeye Name:7-(cyclopropylmethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
CAS Name:7-(cyclopropylmethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
IUPAC Name:7-(cyclopropylmethyl)-3-methyl-1-(5-phosphonatopentyl)purine-2,6-dione
Traditional Name:7-(cyclopropylmethyl)-3-methyl-1-(5-phosphonatopentyl)xanthine
Formula: C15H21N4O5P-2
MolecularWeight: 368.324801
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCCP(=O)([O-])[O-])N(C=N2)CC3CC3


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCCP(=O)([O-])[O-])N(C=N2)CC3CC3


InChI

InChI=1S/C15H23N4O5P/c1-17-13-12(18(10-16-13)9-11-5-6-11)14(20)19(15(17)21)7-3-2-4-8-25(22,23)24/h10-11H,2-9H2,1H3,(H2,22,23,24)/p-2


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