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

Systemtic Name: ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-oxidanylidenepropyl)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(7-acetonyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[[1,3-dimethyl-2,6-dioxo-7-(2-oxopropyl)-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1,3-dimethyl-2,6-dioxo-7-(2-oxopropyl)purin-8-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-acetonyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26N6O5 MolecularWeight: 406.43624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC(=O)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC(=O)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H26N6O5/c1-5-29-18(28)23-8-6-22(7-9-23)11-13-19-15-14(24(13)10-12(2)25)16(26)21(4)17(27)20(15)3/h5-11H2,1-4H3