ethyl 1-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl]piperidine-3-carboxylate CAS Name: 1-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl]piperidine-3-carboxylate Traditional Name: 1-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl]nipecotic acid ethyl ester Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCC(C3)C(=O)OCC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCC(C3)C(=O)OCC)CC

InChI

InChI=1S/C20H31N5O4/c1-4-7-11-25-17-16(18(26)22-20(25)28)24(5-2)15(21-17)13-23-10-8-9-14(12-23)19(27)29-6-3/h14H,4-13H2,1-3H3,(H,22,26,28)