ethyl 4-[3-(3,7-dimethyl-6-oxidanylidene-2H-purin-1-yl)-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3,7-dimethyl-6-oxidanylidene-2H-purin-1-yl)-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3,7-dimethyl-6-oxo-2H-purin-1-yl)-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[3-(3,7-dimethyl-6-oxo-2H-purin-1-yl)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,7-dimethyl-6-oxo-2H-purin-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[2-hydroxy-3-(6-keto-3,7-dimethyl-2H-purin-1-yl)propyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H28N6O4 MolecularWeight: 380.44202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(CN2CN(C3=C(C2=O)N(C=N3)C)C)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(CN2CN(C3=C(C2=O)N(C=N3)C)C)O

InChI

InChI=1S/C17H28N6O4/c1-4-27-17(26)22-7-5-21(6-8-22)9-13(24)10-23-12-20(3)15-14(16(23)25)19(2)11-18-15/h11,13,24H,4-10,12H2,1-3H3