4-[[[(4E)-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-6-thiophen-2-yl-1H-pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[(4E)-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-6-thiophen-2-yl-1H-pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[(4E)-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-6-(2-thienyl)-1H-pyrimidin-2-yl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(4E)-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-6-thiophen-2-yl-1H-pyrimidin-2-yl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[(4E)-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-6-thiophen-2-yl-1H-pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[(4E)-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-(2-thienyl)-1H-pyrimidin-2-yl]amino]methyl]cyclohexanecarboxylic acid Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=C3C=CC=CC3=O)C=C(N2)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC2=N/C(=C/3\C=CC=CC3=O)/C=C(N2)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H23N3O3S/c26-19-5-2-1-4-16(19)17-12-18(20-6-3-11-29-20)25-22(24-17)23-13-14-7-9-15(10-8-14)21(27)28/h1-6,11-12,14-15H,7-10,13H2,(H,27,28)(H2,23,24,25)/b17-16+