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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C=C

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C=C

InChI

InChI=1S/C22H26N6O4/c1-4-15-8-6-7-9-16(15)28-18-19(24-21(28)26-12-10-23-11-13-26)27(14-17(29)32-5-2)22(31)25(3)20(18)30/h4,6-9,23H,1,5,10-14H2,2-3H3