[1-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-3-piperidin-1-yl-propan-2-yl] benzoate

Systemtic Name: [1-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-3-piperidin-1-yl-propan-2-yl] benzoate Openeye Name: [1-[[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]methyl]-2-(1-piperidyl)ethyl] benzoate CAS Name: benzoic acid [1-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]-3-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-yl] benzoate Traditional Name: benzoic acid [1-[[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]methyl]-2-piperidino-ethyl] ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCC(CN2CCCCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCC(CN2CCCCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4/c1-23-18(13-19(26)24(2)21(23)28)22-14-17(15-25-11-7-4-8-12-25)29-20(27)16-9-5-3-6-10-16/h3,5-6,9-10,13,17,22H,4,7-8,11-12,14-15H2,1-2H3