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

Systemtic Name: 5-[[2,4-bis(azanyl)-6-methylsulfanyl-pyrimidin-5-yl]methyl]-7-propyl-quinolin-8-ol Openeye Name: 5-[(2,4-diamino-6-methylsulfanyl-pyrimidin-5-yl)methyl]-7-propyl-quinolin-8-ol CAS Name: 5-[[2,4-diamino-6-(methylthio)-5-pyrimidinyl]methyl]-7-propyl-8-quinolinol IUPAC Name: 5-[(2,4-diamino-6-methylsulfanylpyrimidin-5-yl)methyl]-7-propylquinolin-8-ol Traditional Name: 5-[[2,4-diamino-6-(methylthio)pyrimidin-5-yl]methyl]-7-propyl-quinolin-8-ol Formula: C18H21N5OS MolecularWeight: 355.45724

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-3-5-10-8-11(12-6-4-7-21-14(12)15(10)24)9-13-16(19)22-18(20)23-17(13)25-2/h4,6-8,24H,3,5,9H2,1-2H3,(H4,19,20,22,23)