[[5-(6-azanyl-9-phenethyl-purin-8-yl)furan-2-yl]-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate

Systemtic Name: [[5-(6-azanyl-9-phenethyl-purin-8-yl)furan-2-yl]-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate Openeye Name: [[5-(6-amino-9-phenethyl-purin-8-yl)-2-furyl]-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [[5-(6-amino-9-phenethyl-8-purinyl)-2-furanyl]-[(2-methyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester IUPAC Name: [[5-(6-amino-9-phenethylpurin-8-yl)furan-2-yl]-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [[5-(6-amino-9-phenethyl-purin-8-yl)-2-furyl]-(isobutyryloxymethoxy)phosphoryl]oxymethyl ester Formula: C27H32N5O8P MolecularWeight: 585.545441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCOP(=O)(C1=CC=C(O1)C2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N)OCOC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)OCOP(=O)(C1=CC=C(O1)C2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N)OCOC(=O)C(C)C

InChI

InChI=1S/C27H32N5O8P/c1-17(2)26(33)36-15-38-41(35,39-16-37-27(34)18(3)4)21-11-10-20(40-21)24-31-22-23(28)29-14-30-25(22)32(24)13-12-19-8-6-5-7-9-19/h5-11,14,17-18H,12-13,15-16H2,1-4H3,(H2,28,29,30)