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

Systemtic Name: ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7-phenethyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H30N6O4/c1-4-33-23(32)28-14-12-27(13-15-28)16-18-24-20-19(21(30)26(3)22(31)25(20)2)29(18)11-10-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3