3-[[6-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]amino]propylazanium

Systemtic Name: 3-[[6-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]amino]propylazanium Openeye Name: 3-[[6-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]amino]propylammonium CAS Name: 3-[[6-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-yl]amino]propylammonium IUPAC Name: 3-[[6-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]amino]propylazanium Traditional Name: 3-[[2-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-methyl-1H-pyrimidin-4-yl]amino]propylammonium Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C2C=CC=CC2=O)N1)NCCC[NH3+]

Isomeric SMILES

CC1=CC(=NC(=C2C=CC=CC2=O)N1)NCCC[NH3+]

InChI

InChI=1S/C14H18N4O/c1-10-9-13(16-8-4-7-15)18-14(17-10)11-5-2-3-6-12(11)19/h2-3,5-6,9,17H,4,7-8,15H2,1H3,(H,16,18)/p+1