N-(3-imidazol-1-ylpropyl)-4-[(4E)-4-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-oxidanylidene-1H-pyrimidin-6-yl]benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-[(4E)-4-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-oxidanylidene-1H-pyrimidin-6-yl]benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-[(4E)-4-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-[(4E)-4-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-[(4E)-4-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-[(4E)-2-keto-4-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]benzamide Formula: C24H23N5O3 MolecularWeight: 429.47112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC(=O)N2)C3=CC=C(C=C3)C(=O)NCCCN4C=CN=C4)C=CC1=O

Isomeric SMILES

CC1=C/C(=C/2\C=C(NC(=O)N2)C3=CC=C(C=C3)C(=O)NCCCN4C=CN=C4)/C=CC1=O

InChI

InChI=1S/C24H23N5O3/c1-16-13-19(7-8-22(16)30)21-14-20(27-24(32)28-21)17-3-5-18(6-4-17)23(31)26-9-2-11-29-12-10-25-15-29/h3-8,10,12-15H,2,9,11H2,1H3,(H,26,31)(H2,27,28,32)/b21-19+