2-(chloromethyl)-5-[6-[(1-thiophen-2-ylcyclopropyl)methylamino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(chloromethyl)-5-[6-[(1-thiophen-2-ylcyclopropyl)methylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(chloromethyl)-5-[6-[[1-(2-thienyl)cyclopropyl]methylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(chloromethyl)-5-[6-[(1-thiophen-2-ylcyclopropyl)methylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(chloromethyl)-5-[6-[(1-thiophen-2-ylcyclopropyl)methylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(chloromethyl)-5-[6-[[1-(2-thienyl)cyclopropyl]methylamino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C18H20ClN5O3S MolecularWeight: 421.9011

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CCl)O)O)C5=CC=CS5

Isomeric SMILES

C1CC1(CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CCl)O)O)C5=CC=CS5

InChI

InChI=1S/C18H20ClN5O3S/c19-6-10-13(25)14(26)17(27-10)24-9-23-12-15(21-8-22-16(12)24)20-7-18(3-4-18)11-2-1-5-28-11/h1-2,5,8-10,13-14,17,25-26H,3-4,6-7H2,(H,20,21,22)