3-azanyl-2-[[(4-methylphenyl)amino]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-azanyl-2-[[(4-methylphenyl)amino]methylsulfanyl]quinazolin-4-one Openeye Name: 3-amino-2-[(4-methylanilino)methylsulfanyl]quinazolin-4-one CAS Name: 3-amino-2-[(4-methylanilino)methylthio]-4-quinazolinone IUPAC Name: 3-amino-2-[(4-methylanilino)methylsulfanyl]quinazolin-4-one Traditional Name: 3-amino-2-(p-toluidinomethylthio)quinazolin-4-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCSC2=NC3=CC=CC=C3C(=O)N2N

Isomeric SMILES

CC1=CC=C(C=C1)NCSC2=NC3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C16H16N4OS/c1-11-6-8-12(9-7-11)18-10-22-16-19-14-5-3-2-4-13(14)15(21)20(16)17/h2-9,18H,10,17H2,1H3