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

Systemtic Name: [[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2-piperidin-1-ylethanoate Openeye Name: [(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] 2-(1-piperidyl)acetate CAS Name: 2-(1-piperidinyl)acetic acid [[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]-phenylmethyl] ester IUPAC Name: [[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]-phenylmethyl] 2-piperidin-1-ylacetate Traditional Name: 2-piperidinoacetic acid [(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)-phenyl-methyl] ester Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4/c1-17(2)14-28-21-20(22(31)26(3)24(28)32)29(16-25-21)23(18-10-6-4-7-11-18)33-19(30)15-27-12-8-5-9-13-27/h4,6-7,10-11,16-17,23H,5,8-9,12-15H2,1-3H3