6-bromanyl-N-(1-phenylsulfanylpropan-2-yl)quinazolin-4-amine

Systemtic Name: 6-bromanyl-N-(1-phenylsulfanylpropan-2-yl)quinazolin-4-amine Openeye Name: 6-bromo-N-(1-methyl-2-phenylsulfanyl-ethyl)quinazolin-4-amine CAS Name: 6-bromo-N-[1-(phenylthio)propan-2-yl]-4-quinazolinamine IUPAC Name: 6-bromo-N-(1-phenylsulfanylpropan-2-yl)quinazolin-4-amine Traditional Name: (6-bromoquinazolin-4-yl)-[1-methyl-2-(phenylthio)ethyl]amine Formula: C17H16BrN3S MolecularWeight: 374.29804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)Br

Isomeric SMILES

CC(CSC1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3S/c1-12(10-22-14-5-3-2-4-6-14)21-17-15-9-13(18)7-8-16(15)19-11-20-17/h2-9,11-12H,10H2,1H3,(H,19,20,21)