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

Systemtic Name: butyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4/c1-3-4-10-26-12(23)11-22-13-14(20(2)17(25)19-15(13)24)18-16(22)21-8-6-5-7-9-21/h3-11H2,1-2H3,(H,19,24,25)