N5-(3-methylsulfanylphenyl)isoquinoline-5,8-diamine

Systemtic Name: N5-(3-methylsulfanylphenyl)isoquinoline-5,8-diamine Openeye Name: N5-(3-methylsulfanylphenyl)isoquinoline-5,8-diamine CAS Name: N5-[3-(methylthio)phenyl]isoquinoline-5,8-diamine IUPAC Name: 5-N-(3-methylsulfanylphenyl)isoquinoline-5,8-diamine Traditional Name: (8-amino-5-isoquinolyl)-[3-(methylthio)phenyl]amine Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C3C=CN=CC3=C(C=C2)N

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C3C=CN=CC3=C(C=C2)N

InChI

InChI=1S/C16H15N3S/c1-20-12-4-2-3-11(9-12)19-16-6-5-15(17)14-10-18-8-7-13(14)16/h2-10,19H,17H2,1H3