5-[(7-methoxy-8-methylsulfanyl-quinolin-5-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(7-methoxy-8-methylsulfanyl-quinolin-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(7-methoxy-8-methylsulfanyl-5-quinolyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[7-methoxy-8-(methylthio)-5-quinolinyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(7-methoxy-8-methylsulfanylquinolin-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[7-methoxy-8-(methylthio)-5-quinolyl]methyl]pyrimidin-4-yl]amine Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC=N2)C(=C1)CC3=CN=C(N=C3N)N)SC

Isomeric SMILES

COC1=C(C2=C(C=CC=N2)C(=C1)CC3=CN=C(N=C3N)N)SC

InChI

InChI=1S/C16H17N5OS/c1-22-12-7-9(6-10-8-20-16(18)21-15(10)17)11-4-3-5-19-13(11)14(12)23-2/h3-5,7-8H,6H2,1-2H3,(H4,17,18,20,21)