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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-(4-ethanoylphenyl)piperazine-1-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 4-(4-acetylphenyl)piperazine-1-carboxylate CAS Name: 4-(4-acetylphenyl)-1-piperazinecarboxylic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 4-(4-acetylphenyl)piperazine-1-carboxylate Traditional Name: 4-(4-acetylphenyl)piperazine-1-carboxylic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H26N6O5/c1-15(29)16-4-6-17(7-5-16)26-8-10-27(11-9-26)22(32)33-13-12-28-14-23-19-18(28)20(30)25(3)21(31)24(19)2/h4-7,14H,8-13H2,1-3H3