2-(2-ethylhexylamino)-6-iodanyl-7-methyl-4-oxidanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile

Systemtic Name: 2-(2-ethylhexylamino)-6-iodanyl-7-methyl-4-oxidanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Openeye Name: 2-(2-ethylhexylamino)-6-iodo-7-methyl-4-oxo-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile CAS Name: 2-(2-ethylhexylamino)-6-iodo-7-methyl-4-oxo-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile IUPAC Name: 2-(2-ethylhexylamino)-6-iodo-7-methyl-4-oxo-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Traditional Name: 2-(2-ethylhexylamino)-6-iodo-4-keto-7-methyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carbonitrile Formula: C16H22IN5O MolecularWeight: 427.28325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=O)N2C(=C(C(=C2I)C)C#N)N1

Isomeric SMILES

CCCCC(CC)CNC1=NC(=O)N2C(=C(C(=C2I)C)C#N)N1

InChI

InChI=1S/C16H22IN5O/c1-4-6-7-11(5-2)9-19-15-20-14-12(8-18)10(3)13(17)22(14)16(23)21-15/h11H,4-7,9H2,1-3H3,(H2,19,20,21,23)