[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] 1-azanylcyclohexane-1-carboxylate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] 1-azanylcyclohexane-1-carboxylate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] 1-aminocyclohexanecarboxylate CAS Name: 1-amino-1-cyclohexanecarboxylic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] 1-aminocyclohexane-1-carboxylate Traditional Name: 1-aminocyclohexanecarboxylic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C16H24N6O5 MolecularWeight: 380.39896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N)N

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N)N

InChI

InChI=1S/C16H24N6O5/c17-15-20-12-11(13(24)21-15)19-8-22(12)9-27-10(6-23)7-26-14(25)16(18)4-2-1-3-5-16/h8,10,23H,1-7,9,18H2,(H3,17,20,21,24)