ethyl 1-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(2-amino-6-keto-3H-purin-9-yl)propanoyl]nipecotic acid ethyl ester Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H22N6O4/c1-2-26-15(25)10-4-3-6-21(8-10)11(23)5-7-22-9-18-12-13(22)19-16(17)20-14(12)24/h9-10H,2-8H2,1H3,(H3,17,19,20,24)