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

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]quinazolin-4-olate CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-4-quinazolinolate IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]quinazolin-4-olate Formula: C19H16N7OS- MolecularWeight: 390.44164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=N3)[O-]

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)/p-1