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

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-1H-quinazolin-4-one Formula: C19H17N7OS MolecularWeight: 391.44958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H17N7OS/c1-11-6-2-4-8-13(11)21-18-24-15(23-17(20)26-18)10-28-19-22-14-9-5-3-7-12(14)16(27)25-19/h2-9H,10H2,1H3,(H,22,25,27)(H3,20,21,23,24,26)