5-(2,6-dimethyl-1-pentyl-1H-pyridin-1-ium-4-ylidene)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate

Systemtic Name: 5-(2,6-dimethyl-1-pentyl-1H-pyridin-1-ium-4-ylidene)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate Openeye Name: 5-(2,6-dimethyl-1-pentyl-1H-pyridin-1-ium-4-ylidene)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: 5-(2,6-dimethyl-1-pentyl-1H-pyridin-1-ium-4-ylidene)-4,6-dioxo-1H-pyrimidin-2-olate IUPAC Name: 5-(2,6-dimethyl-1-pentyl-1H-pyridin-1-ium-4-ylidene)-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: 5-(1-amyl-2,6-dimethyl-1H-pyridin-1-ium-4-ylidene)-4,6-diketo-1H-pyrimidin-2-olate Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+]1C(=CC(=C2C(=O)NC(=NC2=O)[O-])C=C1C)C

Isomeric SMILES

CCCCC[NH+]1C(=CC(=C2C(=O)NC(=NC2=O)[O-])C=C1C)C

InChI

InChI=1S/C16H21N3O3/c1-4-5-6-7-19-10(2)8-12(9-11(19)3)13-14(20)17-16(22)18-15(13)21/h8-9H,4-7H2,1-3H3,(H2,17,18,20,21,22)