4,6,7-trimethyl-N-[3-(3-morpholin-4-ium-4-ylpropyl)-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine

Systemtic Name: 4,6,7-trimethyl-N-[3-(3-morpholin-4-ium-4-ylpropyl)-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine Openeye Name: 4,6,7-trimethyl-N-[3-(3-morpholin-4-ium-4-ylpropyl)-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine CAS Name: 4,6,7-trimethyl-N-[3-[3-(4-morpholin-4-iumyl)propyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]-2-quinazolinamine IUPAC Name: 4,6,7-trimethyl-N-[3-(3-morpholin-4-ium-4-ylpropyl)-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine Traditional Name: [3-(3-morpholin-4-ium-4-ylpropyl)-1,2,3,4-tetrahydro-s-triazine-3,5-diium-6-yl]-(4,6,7-trimethylquinazolin-2-yl)amine Formula: C21H34N7O+3 MolecularWeight: 400.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=[NH+]C[NH+](CN3)CCC[NH+]4CCOCC4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=[NH+]C[NH+](CN3)CCC[NH+]4CCOCC4)C)C

InChI

InChI=1S/C21H31N7O/c1-15-11-18-17(3)24-21(25-19(18)12-16(15)2)26-20-22-13-28(14-23-20)6-4-5-27-7-9-29-10-8-27/h11-12H,4-10,13-14H2,1-3H3,(H2,22,23,24,25,26)/p+3