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

Systemtic Name: N-(2-methoxyethyl)-3-[(4E)-4-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-oxidanylidene-1H-pyrimidin-6-yl]benzamide Openeye Name: N-(2-methoxyethyl)-3-[(4E)-4-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide CAS Name: N-(2-methoxyethyl)-3-[(4E)-4-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide IUPAC Name: N-(2-methoxyethyl)-3-[(4E)-4-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide Traditional Name: 3-[(4E)-2-keto-4-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]-N-(2-methoxyethyl)benzamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC(=O)N2)C3=CC(=CC=C3)C(=O)NCCOC)C=CC1=O

Isomeric SMILES

CC1=C/C(=C/2\C=C(NC(=O)N2)C3=CC(=CC=C3)C(=O)NCCOC)/C=CC1=O

InChI

InChI=1S/C21H21N3O4/c1-13-10-15(6-7-19(13)25)18-12-17(23-21(27)24-18)14-4-3-5-16(11-14)20(26)22-8-9-28-2/h3-7,10-12H,8-9H2,1-2H3,(H,22,26)(H2,23,24,27)/b18-15+