ethyl 7-(2-ethenylphenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylate

Systemtic Name: ethyl 7-(2-ethenylphenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylate Openeye Name: ethyl 1-methyl-2,6-dioxo-8-piperazin-1-yl-7-(2-vinylphenyl)purine-3-carboxylate CAS Name: 7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurine-3-carboxylate Traditional Name: 2,6-diketo-1-methyl-8-piperazino-7-(2-vinylphenyl)purine-3-carboxylic acid ethyl ester Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C=C

Isomeric SMILES

CCOC(=O)N1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C=C

InChI

InChI=1S/C21H24N6O4/c1-4-14-8-6-7-9-15(14)26-16-17(23-19(26)25-12-10-22-11-13-25)27(21(30)31-5-2)20(29)24(3)18(16)28/h4,6-9,22H,1,5,10-13H2,2-3H3