[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H22ClN5O3 MolecularWeight: 403.86268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C19H22ClN5O3/c1-10(16(26)25-15-13-14(22-8-21-13)23-9-24-15)28-17(27)18-3-11-2-12(4-18)6-19(20,5-11)7-18/h8-12H,2-7H2,1H3,(H2,21,22,23,24,25,26)