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

Systemtic Name: N-(3-azanylpropyl)-3-[(4E)-4-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-oxidanylidene-1H-pyrimidin-6-yl]benzamide Openeye Name: N-(3-aminopropyl)-3-[(4E)-4-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide CAS Name: N-(3-aminopropyl)-3-[(4E)-4-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide IUPAC Name: N-(3-aminopropyl)-3-[(4E)-4-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-oxo-1H-pyrimidin-6-yl]benzamide Traditional Name: N-(3-aminopropyl)-3-[(4E)-2-keto-4-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-13-10-15(6-7-19(13)26)18-12-17(24-21(28)25-18)14-4-2-5-16(11-14)20(27)23-9-3-8-22/h2,4-7,10-12H,3,8-9,22H2,1H3,(H,23,27)(H2,24,25,28)/b18-15+