2-[8-(4-ethanoylpiperazin-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl ethanoate

Systemtic Name: 2-[8-(4-ethanoylpiperazin-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl ethanoate Openeye Name: 2-[8-(4-acetylpiperazin-1-yl)-3-methyl-2,6-dioxo-purin-7-yl]ethyl acetate CAS Name: acetic acid 2-[8-(4-acetyl-1-piperazinyl)-3-methyl-2,6-dioxo-7-purinyl]ethyl ester IUPAC Name: 2-[8-(4-acetylpiperazin-1-yl)-3-methyl-2,6-dioxopurin-7-yl]ethyl acetate Traditional Name: acetic acid 2-[8-(4-acetylpiperazino)-2,6-diketo-3-methyl-purin-7-yl]ethyl ester Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC3=C(N2CCOC(=O)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC3=C(N2CCOC(=O)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H22N6O5/c1-10(23)20-4-6-21(7-5-20)15-17-13-12(14(25)18-16(26)19(13)3)22(15)8-9-27-11(2)24/h4-9H2,1-3H3,(H,18,25,26)