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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(2-methoxyphenyl)-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-(2-methoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(2-methoxyphenyl)piperazine-1-carboxylic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H26N6O5/c1-23-18-17(19(28)24(2)20(23)29)27(14-22-18)12-13-32-21(30)26-10-8-25(9-11-26)15-6-4-5-7-16(15)31-3/h4-7,14H,8-13H2,1-3H3