[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C25H30N6O5 MolecularWeight: 494.5429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4)CC

InChI

InChI=1S/C25H30N6O5/c1-3-5-12-31-21-20(22(32)28-24(31)34)30(4-2)19(27-21)15-35-23(33)16-10-13-29(14-11-16)25-26-17-8-6-7-9-18(17)36-25/h6-9,16H,3-5,10-15H2,1-2H3,(H,28,32,34)