pentyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethanoate

Systemtic Name: pentyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethanoate Openeye Name: pentyl 2-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)acetic acid amyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCOC(=O)CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H27N5O4/c1-3-4-8-11-27-13(24)12-23-14-15(21(2)18(26)20-16(14)25)19-17(23)22-9-6-5-7-10-22/h3-12H2,1-2H3,(H,20,25,26)