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

Systemtic Name: 3-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl]quinazolin-4-one Openeye Name: 3-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one CAS Name: 3-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]-4-quinazolinone IUPAC Name: 3-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one Traditional Name: 3-[[4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl]quinazolin-4-one Formula: C18H14ClN7O MolecularWeight: 379.80306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C18H14ClN7O/c19-11-5-7-12(8-6-11)22-18-24-15(23-17(20)25-18)9-26-10-21-14-4-2-1-3-13(14)16(26)27/h1-8,10H,9H2,(H3,20,22,23,24,25)