2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C26H23N7O2S MolecularWeight: 497.57152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C26H23N7O2S/c1-16-12-13-21(35-2)20(14-16)33-23(34)18-10-6-7-11-19(18)29-26(33)36-15-22-30-24(27)32-25(31-22)28-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H3,27,28,30,31,32)