tert-butyl 3-[(4E)-2-azanyl-4-(3-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-(3-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-(3-ethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate CAS Name: 3-[(4E)-2-amino-4-(3-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-(3-ethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidine-1-carboxylate Traditional Name: 3-[(4E)-2-amino-4-(3-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(=C2C=C(NC(=N2)N)C3CCCN(C3)C(=O)OC(C)(C)C)C(=O)C=C1

Isomeric SMILES

CCC1=C/C(=C\2/C=C(NC(=N2)N)C3CCCN(C3)C(=O)OC(C)(C)C)/C(=O)C=C1

InChI

InChI=1S/C22H30N4O3/c1-5-14-8-9-19(27)16(11-14)18-12-17(24-20(23)25-18)15-7-6-10-26(13-15)21(28)29-22(2,3)4/h8-9,11-12,15H,5-7,10,13H2,1-4H3,(H3,23,24,25)/b18-16+