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

Systemtic Name: ethyl 4-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)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(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H30N6O4/c1-5-33-23(32)28-12-10-27(11-13-28)15-18-24-20-19(21(30)26(4)22(31)25(20)3)29(18)14-17-8-6-16(2)7-9-17/h6-9H,5,10-15H2,1-4H3