5-[[2,4-bis(azanyl)-6-methylsulfanyl-pyrimidin-5-yl]methyl]-7-methoxy-quinolin-8-ol

Systemtic Name: 5-[[2,4-bis(azanyl)-6-methylsulfanyl-pyrimidin-5-yl]methyl]-7-methoxy-quinolin-8-ol Openeye Name: 5-[(2,4-diamino-6-methylsulfanyl-pyrimidin-5-yl)methyl]-7-methoxy-quinolin-8-ol CAS Name: 5-[[2,4-diamino-6-(methylthio)-5-pyrimidinyl]methyl]-7-methoxy-8-quinolinol IUPAC Name: 5-[(2,4-diamino-6-methylsulfanylpyrimidin-5-yl)methyl]-7-methoxyquinolin-8-ol Traditional Name: 5-[[2,4-diamino-6-(methylthio)pyrimidin-5-yl]methyl]-7-methoxy-quinolin-8-ol Formula: C16H17N5O2S MolecularWeight: 343.40348

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-23-11-7-8(9-4-3-5-19-12(9)13(11)22)6-10-14(17)20-16(18)21-15(10)24-2/h3-5,7,22H,6H2,1-2H3,(H4,17,18,20,21)