(3aR,4R,6S,6aS)-N-ethyl-2,2-dimethyl-4-[6-(1,3,4-thiadiazol-2-ylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Systemtic Name: (3aR,4R,6S,6aS)-N-ethyl-2,2-dimethyl-4-[6-(1,3,4-thiadiazol-2-ylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Openeye Name: (3aR,4R,6S,6aS)-N-ethyl-2,2-dimethyl-4-[6-(1,3,4-thiadiazol-2-ylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide CAS Name: (3aR,4R,6S,6aS)-N-ethyl-2,2-dimethyl-4-[6-[[oxo-(1,3,4-thiadiazol-2-ylamino)methyl]amino]-9-purinyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide IUPAC Name: (3aR,4R,6S,6aS)-N-ethyl-2,2-dimethyl-4-[6-(1,3,4-thiadiazol-2-ylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Traditional Name: (3aR,4R,6S,6aS)-N-ethyl-2,2-dimethyl-4-[6-(1,3,4-thiadiazol-2-ylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Formula: C18H21N9O5S MolecularWeight: 475.48164

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C2C(C(O1)N3C=NC4=C3N=CN=C4NC(=O)NC5=NN=CS5)OC(O2)(C)C

Isomeric SMILES

CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4NC(=O)NC5=NN=CS5)OC(O2)(C)C

InChI

InChI=1S/C18H21N9O5S/c1-4-19-14(28)10-9-11(32-18(2,3)31-9)15(30-10)27-6-22-8-12(20-5-21-13(8)27)24-16(29)25-17-26-23-7-33-17/h5-7,9-11,15H,4H2,1-3H3,(H,19,28)(H2,20,21,24,25,26,29)/t9-,10+,11-,15-/m1/s1