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4-[7-(cyclopropylmethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]butylphosphonic acid

4-[7-(cyclopropylmethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]butylphosphonic acid

Systemtic Name:4-[7-(cyclopropylmethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]butylphosphonic acid
Openeye Name:4-[7-(cyclopropylmethyl)-3-methyl-2,6-dioxo-purin-1-yl]butylphosphonic acid
CAS Name:4-[7-(cyclopropylmethyl)-3-methyl-2,6-dioxo-1-purinyl]butylphosphonic acid
IUPAC Name:4-[7-(cyclopropylmethyl)-3-methyl-2,6-dioxopurin-1-yl]butylphosphonic acid
Traditional Name:4-[7-(cyclopropylmethyl)-2,6-diketo-3-methyl-purin-1-yl]butylphosphonic acid
Formula: C14H21N4O5P
MolecularWeight: 356.314101
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCP(=O)(O)O)N(C=N2)CC3CC3


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCP(=O)(O)O)N(C=N2)CC3CC3


InChI

InChI=1S/C14H21N4O5P/c1-16-12-11(17(9-15-12)8-10-4-5-10)13(19)18(14(16)20)6-2-3-7-24(21,22)23/h9-10H,2-8H2,1H3,(H2,21,22,23)


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