N-(3-methylphenyl)-7-methylsulfanyl-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-methylphenyl)-7-methylsulfanyl-6-nitro-quinazolin-4-amine Openeye Name: 7-methylsulfanyl-N-(m-tolyl)-6-nitro-quinazolin-4-amine CAS Name: N-(3-methylphenyl)-7-(methylthio)-6-nitro-4-quinazolinamine IUPAC Name: N-(3-methylphenyl)-7-methylsulfanyl-6-nitroquinazolin-4-amine Traditional Name: [7-(methylthio)-6-nitro-quinazolin-4-yl]-(m-tolyl)amine Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])SC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])SC

InChI

InChI=1S/C16H14N4O2S/c1-10-4-3-5-11(6-10)19-16-12-7-14(20(21)22)15(23-2)8-13(12)17-9-18-16/h3-9H,1-2H3,(H,17,18,19)