2-methylpropyl 4-[(6E)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[(6E)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: isobutyl 4-[(6E)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[(6E)-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-yl]-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(6E)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[(6E)-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]piperazine-1-carboxylic acid isobutyl ester Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(CC1)C2=CC(=C3C=CC=CC3=O)NC=N2

Isomeric SMILES

CC(C)COC(=O)N1CCN(CC1)C2=C/C(=C\3/C=CC=CC3=O)/NC=N2

InChI

InChI=1S/C19H24N4O3/c1-14(2)12-26-19(25)23-9-7-22(8-10-23)18-11-16(20-13-21-18)15-5-3-4-6-17(15)24/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,20,21)/b16-15+