2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-(6-amino-2-chloro-purin-9-yl)-5-(butylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-amino-2-chloro-9-purinyl)-5-[(butylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-(6-amino-2-chloro-purin-9-yl)-5-[(butylthio)methyl]tetrahydrofuran-3,4-diol Formula: C14H20ClN5O3S MolecularWeight: 373.8583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)Cl)O)O

Isomeric SMILES

CCCCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)Cl)O)O

InChI

InChI=1S/C14H20ClN5O3S/c1-2-3-4-24-5-7-9(21)10(22)13(23-7)20-6-17-8-11(16)18-14(15)19-12(8)20/h6-7,9-10,13,21-22H,2-5H2,1H3,(H2,16,18,19)