[2-[(2-azanyl-6-oxidanylidene-2,3-dihydro-1H-purin-9-yl)methoxy]-3-oxidanyl-propyl] 3-azanyl-5-methyl-adamantane-1-carboxylate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-2,3-dihydro-1H-purin-9-yl)methoxy]-3-oxidanyl-propyl] 3-azanyl-5-methyl-adamantane-1-carboxylate Openeye Name: [2-[(2-amino-6-oxo-2,3-dihydro-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] 3-amino-5-methyl-adamantane-1-carboxylate CAS Name: 3-amino-5-methyl-1-adamantanecarboxylic acid [2-[(2-amino-6-oxo-2,3-dihydro-1H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-2,3-dihydro-1H-purin-9-yl)methoxy]-3-hydroxypropyl] 3-amino-5-methyladamantane-1-carboxylate Traditional Name: 3-amino-5-methyl-adamantane-1-carboxylic acid [2-[(2-amino-6-keto-2,3-dihydro-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C21H32N6O5 MolecularWeight: 448.51598

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N)C(=O)OCC(CO)OCN4C=NC5=C4NC(NC5=O)N

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)N)C(=O)OCC(CO)OCN4C=NC5=C4NC(NC5=O)N

InChI

InChI=1S/C21H32N6O5/c1-19-2-12-3-20(7-19,9-21(23,4-12)8-19)17(30)31-6-13(5-28)32-11-27-10-24-14-15(27)25-18(22)26-16(14)29/h10,12-13,18,25,28H,2-9,11,22-23H2,1H3,(H,26,29)