4,8-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)quinazolin-2-amine

Systemtic Name: 4,8-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)quinazolin-2-amine Openeye Name: 4,8-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)quinazolin-2-amine CAS Name: 4,8-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)-2-quinazolinamine IUPAC Name: 4,8-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)quinazolin-2-amine Traditional Name: (4,8-dimethylquinazolin-2-yl)-(3-phenethyl-1,2,3,4-tetrahydro-s-triazine-3,5-diium-6-yl)amine Formula: C21H26N6+2 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2C)NC3=[NH+]C[NH+](CN3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2C)NC3=[NH+]C[NH+](CN3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N6/c1-15-7-6-10-18-16(2)24-21(25-19(15)18)26-20-22-13-27(14-23-20)12-11-17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3,(H2,22,23,24,25,26)/p+2