S-ethyl 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbothioate

Systemtic Name: S-ethyl 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbothioate Openeye Name: S-ethyl 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbothioate CAS Name: 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbothioate Traditional Name: 4-adenin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbothioic acid S-ethyl ester Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1C2C(C(O1)N3C=NC4=C3N=CN=C4N)OC(O2)(C)C

Isomeric SMILES

CCSC(=O)C1C2C(C(O1)N3C=NC4=C3N=CN=C4N)OC(O2)(C)C

InChI

InChI=1S/C15H19N5O4S/c1-4-25-14(21)10-8-9(24-15(2,3)23-8)13(22-10)20-6-19-7-11(16)17-5-18-12(7)20/h5-6,8-10,13H,4H2,1-3H3,(H2,16,17,18)