(2S,3S,4R,5R)-5-[2-chloranyl-6-[[2-(dimethylamino)-7-methyl-1,3-benzoxazol-5-yl]methylamino]purin-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R,5R)-5-[2-chloranyl-6-[[2-(dimethylamino)-7-methyl-1,3-benzoxazol-5-yl]methylamino]purin-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-5-[2-chloro-6-[[2-(dimethylamino)-7-methyl-1,3-benzoxazol-5-yl]methylamino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-5-[2-chloro-6-[[2-(dimethylamino)-7-methyl-1,3-benzoxazol-5-yl]methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-5-[2-chloro-6-[[2-(dimethylamino)-7-methyl-1,3-benzoxazol-5-yl]methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-5-[2-chloro-6-[[2-(dimethylamino)-7-methyl-1,3-benzoxazol-5-yl]methylamino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C22H25ClN8O5 MolecularWeight: 516.9375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CNC3=NC(=NC4=C3N=CN4C5C(C(C(O5)C(=O)NC)O)O)Cl)N=C(O2)N(C)C

Isomeric SMILES

CC1=C2C(=CC(=C1)CNC3=NC(=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)C(=O)NC)O)O)Cl)N=C(O2)N(C)C

InChI

InChI=1S/C22H25ClN8O5/c1-9-5-10(6-11-15(9)36-22(27-11)30(3)4)7-25-17-12-18(29-21(23)28-17)31(8-26-12)20-14(33)13(32)16(35-20)19(34)24-2/h5-6,8,13-14,16,20,32-33H,7H2,1-4H3,(H,24,34)(H,25,28,29)/t13-,14+,16-,20+/m0/s1