ethyl 2-[7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-1-phenacyl-8-piperazin-1-yl-purin-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-1-phenacyl-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: ethyl 2-[7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacyl-8-piperazin-1-yl-purin-3-yl]acetate CAS Name: 2-[7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacyl-8-(1-piperazinyl)-3-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacyl-8-piperazin-1-ylpurin-3-yl]acetate Traditional Name: 2-[2,6-diketo-7-(3-methylbut-2-enyl)-1-phenacyl-8-piperazino-purin-3-yl]acetic acid ethyl ester Formula: C26H32N6O5 MolecularWeight: 508.56948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC=C(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC=C(C)C

InChI

InChI=1S/C26H32N6O5/c1-4-37-21(34)17-31-23-22(24(35)32(26(31)36)16-20(33)19-8-6-5-7-9-19)30(13-10-18(2)3)25(28-23)29-14-11-27-12-15-29/h5-10,27H,4,11-17H2,1-3H3