ethyl 4-[[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H26N6O4 MolecularWeight: 378.42614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C17H26N6O4/c1-5-23-12(11-21-7-9-22(10-8-21)17(26)27-6-2)18-14-13(23)15(24)20(4)16(25)19(14)3/h5-11H2,1-4H3