3-[[4-[(2,5-dimethoxyphenyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]methyl]-2-methyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-[[4-[(2,5-dimethoxyphenyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]methyl]-2-methyl-4aH-quinazolin-3-ium-4-one Openeye Name: 3-[[4-anilino-6-(2,5-dimethoxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methyl-4aH-quinazolin-3-ium-4-one CAS Name: 3-[[4-anilino-6-(2,5-dimethoxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methyl-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-[[4-anilino-6-(2,5-dimethoxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methyl-4aH-quinazolin-3-ium-4-one Traditional Name: 3-[[4-anilino-6-(2,5-dimethoxyanilino)-s-triazin-2-yl]methyl]-2-methyl-4aH-quinazolin-3-ium-4-one Formula: C27H26N7O3+ MolecularWeight: 496.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2C=CC=CC2=N1)CC3=NC(=NC(=N3)NC4=C(C=CC(=C4)OC)OC)NC5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=O)C2C=CC=CC2=N1)CC3=NC(=NC(=N3)NC4=C(C=CC(=C4)OC)OC)NC5=CC=CC=C5

InChI

InChI=1S/C27H26N7O3/c1-17-28-21-12-8-7-11-20(21)25(35)34(17)16-24-31-26(29-18-9-5-4-6-10-18)33-27(32-24)30-22-15-19(36-2)13-14-23(22)37-3/h4-15,20H,16H2,1-3H3,(H2,29,30,31,32,33)/q+1