[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2-piperidin-1-ylethanoate

Systemtic Name: [[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2-piperidin-1-ylethanoate Openeye Name: [(1,3-dimethyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] 2-(1-piperidyl)acetate CAS Name: 2-(1-piperidinyl)acetic acid [(1,3-dimethyl-2,6-dioxo-7-purinyl)-phenylmethyl] ester IUPAC Name: [(1,3-dimethyl-2,6-dioxopurin-7-yl)-phenylmethyl] 2-piperidin-1-ylacetate Traditional Name: 2-piperidinoacetic acid [(2,6-diketo-1,3-dimethyl-purin-7-yl)-phenyl-methyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)CN4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)CN4CCCCC4

InChI

InChI=1S/C21H25N5O4/c1-23-18-17(19(28)24(2)21(23)29)26(14-22-18)20(15-9-5-3-6-10-15)30-16(27)13-25-11-7-4-8-12-25/h3,5-6,9-10,14,20H,4,7-8,11-13H2,1-2H3