2-[[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C21H22N8O MolecularWeight: 402.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N8O/c1-13-7-9-14(10-8-13)23-21-27-18(26-20(22)28-21)12-29(2)11-17-24-16-6-4-3-5-15(16)19(30)25-17/h3-10H,11-12H2,1-2H3,(H,24,25,30)(H3,22,23,26,27,28)