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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C(=O)C2=C(N=C(N2C)N3CCCCC3)N(C1=O)C

Isomeric SMILES

CCCCOC(=O)CN1C(=O)C2=C(N=C(N2C)N3CCCCC3)N(C1=O)C

InChI

InChI=1S/C18H27N5O4/c1-4-5-11-27-13(24)12-23-16(25)14-15(21(3)18(23)26)19-17(20(14)2)22-9-7-6-8-10-22/h4-12H2,1-3H3