[7-(2-ethenylphenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl] butanoate

Systemtic Name: [7-(2-ethenylphenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl] butanoate Openeye Name: [1-methyl-2,6-dioxo-8-piperazin-1-yl-7-(2-vinylphenyl)purin-3-yl] butanoate CAS Name: butanoic acid [7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl] ester IUPAC Name: [7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl] butanoate Traditional Name: butyric acid [2,6-diketo-1-methyl-8-piperazino-7-(2-vinylphenyl)purin-3-yl] ester Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C=C

Isomeric SMILES

CCCC(=O)ON1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C=C

InChI

InChI=1S/C22H26N6O4/c1-4-8-17(29)32-28-19-18(20(30)25(3)22(28)31)27(16-10-7-6-9-15(16)5-2)21(24-19)26-13-11-23-12-14-26/h5-7,9-10,23H,2,4,8,11-14H2,1,3H3