2-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]cycloheptane-1-thione

Systemtic Name: 2-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]cycloheptane-1-thione Openeye Name: 2-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-8-yl]cycloheptanethione CAS Name: 2-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-purinyl]-1-cycloheptanethione IUPAC Name: 2-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]cycloheptane-1-thione Traditional Name: 2-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-8-yl]cycloheptanethione Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=S)CC1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N

Isomeric SMILES

C1CCC(C(=S)CC1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N

InChI

InChI=1S/C17H23N5O4S/c18-14-11-16(20-7-19-14)22(17-13(25)12(24)9(6-23)26-17)15(21-11)8-4-2-1-3-5-10(8)27/h7-9,12-13,17,23-25H,1-6H2,(H2,18,19,20)