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

Systemtic Name: 5-[(8-methoxy-7-propyl-quinolin-5-yl)methyl]-6-methylsulfanyl-pyrimidine-2,4-diamine Openeye Name: 5-[(8-methoxy-7-propyl-5-quinolyl)methyl]-6-methylsulfanyl-pyrimidine-2,4-diamine CAS Name: 5-[(8-methoxy-7-propyl-5-quinolinyl)methyl]-6-(methylthio)pyrimidine-2,4-diamine IUPAC Name: 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]-6-methylsulfanylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(8-methoxy-7-propyl-5-quinolyl)methyl]-6-(methylthio)pyrimidin-4-yl]amine Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=CC=N2)C(=C1)CC3=C(N=C(N=C3SC)N)N)OC

Isomeric SMILES

CCCC1=C(C2=C(C=CC=N2)C(=C1)CC3=C(N=C(N=C3SC)N)N)OC

InChI

InChI=1S/C19H23N5OS/c1-4-6-11-9-12(13-7-5-8-22-15(13)16(11)25-2)10-14-17(20)23-19(21)24-18(14)26-3/h5,7-9H,4,6,10H2,1-3H3,(H4,20,21,23,24)