6,8,8-trimethyl-3-(phenylmethyl)-2,3,4,9-tetrahydropyrimido[1,2-a][1,3,5]triazine-3,5-diium-1-carbonitrile

Systemtic Name: 6,8,8-trimethyl-3-(phenylmethyl)-2,3,4,9-tetrahydropyrimido[1,2-a][1,3,5]triazine-3,5-diium-1-carbonitrile Openeye Name: 3-benzyl-6,8,8-trimethyl-2,3,4,9-tetrahydropyrimido[1,2-a][1,3,5]triazine-3,5-diium-1-carbonitrile CAS Name: 6,8,8-trimethyl-3-(phenylmethyl)-2,3,4,9-tetrahydropyrimido[1,2-a][1,3,5]triazine-3,5-diium-1-carbonitrile IUPAC Name: 3-benzyl-6,8,8-trimethyl-2,3,4,9-tetrahydropyrimido[1,2-a][1,3,5]triazine-3,5-diium-1-carbonitrile Traditional Name: 3-benzyl-6,8,8-trimethyl-2,3,4,9-tetrahydropyrimido[1,2-a][1,3,5]triazine-3,5-diium-1-carbonitrile Formula: C17H23N5+2 MolecularWeight: 297.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=[N+]1C[NH+](CN2C#N)CC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1=CC(NC2=[N+]1C[NH+](CN2C#N)CC3=CC=CC=C3)(C)C

InChI

InChI=1S/C17H21N5/c1-14-9-17(2,3)19-16-21(11-18)12-20(13-22(14)16)10-15-7-5-4-6-8-15/h4-9H,10,12-13H2,1-3H3/p+2