4,6,8-trimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)quinazolin-2-amine

Systemtic Name: 4,6,8-trimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)quinazolin-2-amine Openeye Name: 4,6,8-trimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)quinazolin-2-amine CAS Name: 4,6,8-trimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-2-quinazolinamine IUPAC Name: 4,6,8-trimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)quinazolin-2-amine Traditional Name: (3-phenethyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)-(4,6,8-trimethylquinazolin-2-yl)amine Formula: C22H27N6+ MolecularWeight: 375.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC[NH+](CN3)CCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC[NH+](CN3)CCC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H26N6/c1-15-11-16(2)20-19(12-15)17(3)25-22(26-20)27-21-23-13-28(14-24-21)10-9-18-7-5-4-6-8-18/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,23,24,25,26,27)/p+1