6-bromanyl-N-[2-(4-butylsulfanyl-3-methyl-phenyl)sulfanylethyl]quinazolin-2-amine

Systemtic Name: 6-bromanyl-N-[2-(4-butylsulfanyl-3-methyl-phenyl)sulfanylethyl]quinazolin-2-amine Openeye Name: 6-bromo-N-[2-(4-butylsulfanyl-3-methyl-phenyl)sulfanylethyl]quinazolin-2-amine CAS Name: 6-bromo-N-[2-[[4-(butylthio)-3-methylphenyl]thio]ethyl]-2-quinazolinamine IUPAC Name: 6-bromo-N-[2-(4-butylsulfanyl-3-methylphenyl)sulfanylethyl]quinazolin-2-amine Traditional Name: (6-bromoquinazolin-2-yl)-[2-[[4-(butylthio)-3-methyl-phenyl]thio]ethyl]amine Formula: C21H24BrN3S2 MolecularWeight: 462.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)SCCNC2=NC=C3C=C(C=CC3=N2)Br)C

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)SCCNC2=NC=C3C=C(C=CC3=N2)Br)C

InChI

InChI=1S/C21H24BrN3S2/c1-3-4-10-27-20-8-6-18(12-15(20)2)26-11-9-23-21-24-14-16-13-17(22)5-7-19(16)25-21/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,23,24,25)