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

Systemtic Name: 2-methylpropyl 4-[(2Z)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate Openeye Name: isobutyl 4-[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate CAS Name: 4-[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-6-yl]-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[(2Z)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-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=NC(=C3C=CC=CC3=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3/c1-14(2)13-26-19(25)23-11-9-22(10-12-23)17-7-8-20-18(21-17)15-5-3-4-6-16(15)24/h3-8,14,21H,9-13H2,1-2H3/b18-15+