5-[(7,8-dimethoxyquinolin-5-yl)methyl]-6-methylsulfanyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[(7,8-dimethoxyquinolin-5-yl)methyl]-6-methylsulfanyl-pyrimidine-2,4-diamine Openeye Name: 5-[(7,8-dimethoxy-5-quinolyl)methyl]-6-methylsulfanyl-pyrimidine-2,4-diamine CAS Name: 5-[(7,8-dimethoxy-5-quinolinyl)methyl]-6-(methylthio)pyrimidine-2,4-diamine IUPAC Name: 5-[(7,8-dimethoxyquinolin-5-yl)methyl]-6-methylsulfanylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(7,8-dimethoxy-5-quinolyl)methyl]-6-(methylthio)pyrimidin-4-yl]amine Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC=N2)C(=C1)CC3=C(N=C(N=C3SC)N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=CC=N2)C(=C1)CC3=C(N=C(N=C3SC)N)N)OC

InChI

InChI=1S/C17H19N5O2S/c1-23-12-8-9(10-5-4-6-20-13(10)14(12)24-2)7-11-15(18)21-17(19)22-16(11)25-3/h4-6,8H,7H2,1-3H3,(H4,18,19,21,22)