9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-2-azanyl-4,5-dihydro-1H-purin-6-one

Systemtic Name: 9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-2-azanyl-4,5-dihydro-1H-purin-6-one Openeye Name: 2-amino-9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-4,5-dihydro-1H-purin-6-one CAS Name: 2-amino-9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxy-2-oxolanyl]-4,5-dihydro-1H-purin-6-one IUPAC Name: 2-amino-9-[5-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-4,5-dihydro-1H-purin-6-one Traditional Name: 9-[5-[[(5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl)oxy-[2-diethylaminoethyl(methyl)amino]phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-2-amino-4,5-dihydro-1H-purin-6-one Formula: C27H43N12O8P MolecularWeight: 694.679681

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)P(=O)(OCC1C(CC(O1)N2C=NC3C2N=C(NC3=O)N)O)OC4CC(OC4CO)N5C=NC6=C5N=CN=C6N

Isomeric SMILES

CCN(CC)CCN(C)P(=O)(OCC1C(CC(O1)N2C=NC3C2N=C(NC3=O)N)O)OC4CC(OC4CO)N5C=NC6=C5N=CN=C6N

InChI

InChI=1S/C27H43N12O8P/c1-4-37(5-2)7-6-36(3)48(43,47-16-9-20(45-17(16)10-40)38-13-32-21-23(28)30-12-31-24(21)38)44-11-18-15(41)8-19(46-18)39-14-33-22-25(39)34-27(29)35-26(22)42/h12-20,22,25,40-41H,4-11H2,1-3H3,(H2,28,30,31)(H3,29,34,35,42)