[(1S,2E)-2-[(2-azanyl-6-propylsulfanyl-purin-9-yl)methylidene]cyclopropyl]methanol

Systemtic Name: [(1S,2E)-2-[(2-azanyl-6-propylsulfanyl-purin-9-yl)methylidene]cyclopropyl]methanol Openeye Name: [(1S,2E)-2-[(2-amino-6-propylsulfanyl-purin-9-yl)methylene]cyclopropyl]methanol CAS Name: [(1S,2E)-2-[[2-amino-6-(propylthio)-9-purinyl]methylidene]cyclopropyl]methanol IUPAC Name: [(1S,2E)-2-[(2-amino-6-propylsulfanylpurin-9-yl)methylidene]cyclopropyl]methanol Traditional Name: [(1S,2E)-2-[[2-amino-6-(propylthio)purin-9-yl]methylene]cyclopropyl]methanol Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC2=C1N=CN2C=C3CC3CO)N

Isomeric SMILES

CCCSC1=NC(=NC2=C1N=CN2/C=C/3\C[C@@H]3CO)N

InChI

InChI=1S/C13H17N5OS/c1-2-3-20-12-10-11(16-13(14)17-12)18(7-15-10)5-8-4-9(8)6-19/h5,7,9,19H,2-4,6H2,1H3,(H2,14,16,17)/b8-5+/t9-/m1/s1