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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate CAS Name: 4-(2-hydroxyphenyl)-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-hydroxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(2-hydroxyphenyl)piperazine-1-carboxylic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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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=C4O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C20H24N6O5/c1-22-17-16(18(28)23(2)19(22)29)26(13-21-17)11-12-31-20(30)25-9-7-24(8-10-25)14-5-3-4-6-15(14)27/h3-6,13,27H,7-12H2,1-2H3