ethyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H22N6O5/c1-4-27-16(26)21-7-5-20(6-8-21)11(23)9-22-10-17-12-13(22)18(2)15(25)19(3)14(12)24/h10H,4-9H2,1-3H3