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

Systemtic Name: (3aR,4R,6S,6aS)-4-[6-azanyl-2-(3-thiomorpholin-4-ylprop-1-ynyl)purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Openeye Name: (3aR,4R,6S,6aS)-4-[6-amino-2-(3-thiomorpholinoprop-1-ynyl)purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide CAS Name: (3aR,4R,6S,6aS)-4-[6-amino-2-(3-thiomorpholin-4-ylprop-1-ynyl)-9-purinyl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide IUPAC Name: (3aR,4R,6S,6aS)-4-[6-amino-2-(3-thiomorpholin-4-ylprop-1-ynyl)purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Traditional Name: (3aR,4R,6S,6aS)-4-[6-amino-2-(3-thiomorpholinoprop-1-ynyl)purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Formula: C22H29N7O4S MolecularWeight: 487.57516

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C2C(C(O1)N3C=NC4=C3N=C(N=C4N)C#CCN5CCSCC5)OC(O2)(C)C

Isomeric SMILES

CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=C(N=C4N)C#CCN5CCSCC5)OC(O2)(C)C

InChI

InChI=1S/C22H29N7O4S/c1-4-24-20(30)16-15-17(33-22(2,3)32-15)21(31-16)29-12-25-14-18(23)26-13(27-19(14)29)6-5-7-28-8-10-34-11-9-28/h12,15-17,21H,4,7-11H2,1-3H3,(H,24,30)(H2,23,26,27)/t15-,16+,17-,21-/m1/s1