N4-(3-methoxyphenyl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(3-methoxyphenyl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(3-methoxyphenyl)-6-(8-quinolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(3-methoxyphenyl)-6-(8-quinolinylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(8-quinolylthio)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)N

InChI

InChI=1S/C20H17N5OS/c1-26-15-8-3-7-14(11-15)25-19-17(21)20(24-12-23-19)27-16-9-2-5-13-6-4-10-22-18(13)16/h2-12H,21H2,1H3,(H,23,24,25)