4,7-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)quinazolin-2-amine

Systemtic Name: 4,7-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)quinazolin-2-amine Openeye Name: 4,7-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)quinazolin-2-amine CAS Name: 4,7-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)-2-quinazolinamine IUPAC Name: 4,7-dimethyl-N-(3-phenethyl-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl)quinazolin-2-amine Traditional Name: (4,7-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=CC2=C(C=C1)C(=NC(=N2)NC3=[NH+]C[NH+](CN3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=[NH+]C[NH+](CN3)CCC4=CC=CC=C4)C

InChI

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