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

Systemtic Name: 5-[(8-azanyl-7-methylsulfanyl-quinolin-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(8-amino-7-methylsulfanyl-5-quinolyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[8-amino-7-(methylthio)-5-quinolinyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(8-amino-7-methylsulfanylquinolin-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-amino-7-(methylthio)-5-quinolyl]methyl]pyrimidin-4-yl]amine Formula: C15H16N6S MolecularWeight: 312.39274

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(C=CC=N2)C(=C1)CC3=CN=C(N=C3N)N)N

Isomeric SMILES

CSC1=C(C2=C(C=CC=N2)C(=C1)CC3=CN=C(N=C3N)N)N

InChI

InChI=1S/C15H16N6S/c1-22-11-6-8(5-9-7-20-15(18)21-14(9)17)10-3-2-4-19-13(10)12(11)16/h2-4,6-7H,5,16H2,1H3,(H4,17,18,20,21)