tert-butyl 3-[(4E)-2-azanyl-4-(2-ethyl-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-ethyl-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-ethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4E)-2-amino-4-(2-ethyl-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-ethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4E)-2-amino-4-(2-ethyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=O)C1=C2C=C(NC(=N2)N)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-5-14-8-6-10-18(27)19(14)17-12-16(24-20(23)25-17)15-9-7-11-26(13-15)21(28)29-22(2,3)4/h6,8,10,12,15H,5,7,9,11,13H2,1-4H3,(H3,23,24,25)/b19-17+