tert-butyl 3-[(4Z)-2-azanyl-4-(2-ethenyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4Z)-2-azanyl-4-(2-ethenyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4Z)-2-amino-4-(6-oxo-2-vinyl-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4Z)-2-amino-4-(2-ethenyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-6-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4Z)-2-amino-4-(2-ethenyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4Z)-2-amino-4-(6-keto-2-vinyl-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C(=O)C=CC=C3C=C)N=C(N2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C\3/C(=O)C=CC=C3C=C)/N=C(N2)N

InChI

InChI=1S/C22H28N4O3/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/h5-6,8,10,12,15H,1,7,9,11,13H2,2-4H3,(H3,23,24,25)/b19-17-