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[4-(6-methylpurin-9-yl)-2-(phosphonooxymethyl)cyclopentyl]methyl benzoate

[4-(6-methylpurin-9-yl)-2-(phosphonooxymethyl)cyclopentyl]methyl benzoate

Systemtic Name:[4-(6-methylpurin-9-yl)-2-(phosphonooxymethyl)cyclopentyl]methyl benzoate
Openeye Name:[4-(6-methylpurin-9-yl)-2-(phosphonooxymethyl)cyclopentyl]methyl benzoate
CAS Name:benzoic acid [4-(6-methyl-9-purinyl)-2-(phosphonooxymethyl)cyclopentyl]methyl ester
IUPAC Name:[4-(6-methylpurin-9-yl)-2-(phosphonooxymethyl)cyclopentyl]methyl benzoate
Traditional Name:benzoic acid [4-(6-methylpurin-9-yl)-2-(phosphonooxymethyl)cyclopentyl]methyl ester
Formula: C20H23N4O6P
MolecularWeight: 446.393581
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=N1)N(C=N2)C3CC(C(C3)COP(=O)(O)O)COC(=O)C4=CC=CC=C4


Isomeric SMILES

CC1=C2C(=NC=N1)N(C=N2)C3CC(C(C3)COP(=O)(O)O)COC(=O)C4=CC=CC=C4


InChI

InChI=1S/C20H23N4O6P/c1-13-18-19(22-11-21-13)24(12-23-18)17-7-15(16(8-17)10-30-31(26,27)28)9-29-20(25)14-5-3-2-4-6-14/h2-6,11-12,15-17H,7-10H2,1H3,(H2,26,27,28)


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