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

Systemtic Name: ethyl 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperidine-4-carboxylate CAS Name: 1-[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)piperidine-4-carboxylate Traditional Name: 1-(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)isonipecotic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H27N5O4/c1-4-31-20(29)16-10-12-26(13-11-16)21-23-18-17(19(28)25(3)22(30)24(18)2)27(21)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3