tert-butyl 3-[(4E)-2-azanyl-4-[2-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-6-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4E)-2-azanyl-4-[2-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-6-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4E)-2-amino-4-[2-(2-ethoxy-1,1-dimethyl-2-oxo-ethoxy)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4E)-2-amino-4-[2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-6-oxo-1-cyclohexa-2,4-dienylidene]-1H-pyrimidin-6-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4E)-2-amino-4-[2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-6-oxocyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4E)-2-amino-4-[2-(2-ethoxy-2-keto-1,1-dimethyl-ethoxy)-6-keto-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H36N4O6 MolecularWeight: 500.58724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC=CC(=O)C1=C2C=C(NC(=N2)N)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)OC\1=CC=CC(=O)/C1=C/2\C=C(NC(=N2)N)C3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H36N4O6/c1-7-34-22(32)26(5,6)35-20-12-8-11-19(31)21(20)18-14-17(28-23(27)29-18)16-10-9-13-30(15-16)24(33)36-25(2,3)4/h8,11-12,14,16H,7,9-10,13,15H2,1-6H3,(H3,27,28,29)/b21-18-