[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(2-fluoranylpyridin-3-yl)carbonylsulfamate

Systemtic Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(2-fluoranylpyridin-3-yl)carbonylsulfamate Openeye Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(2-fluoropyridine-3-carbonyl)sulfamate CAS Name: N-[(2-fluoro-3-pyridinyl)-oxomethyl]sulfamic acid [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(2-fluoropyridine-3-carbonyl)sulfamate Traditional Name: N-(2-fluoronicotinoyl)sulfamic acid [(3aR,4R,6R,6aR)-4-adenin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester Formula: C19H20FN7O7S MolecularWeight: 509.468203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4N)COS(=O)(=O)NC(=O)C5=C(N=CC=C5)F)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN=C4N)COS(=O)(=O)NC(=O)C5=C(N=CC=C5)F)C

InChI

InChI=1S/C19H20FN7O7S/c1-19(2)33-12-10(6-31-35(29,30)26-17(28)9-4-3-5-22-14(9)20)32-18(13(12)34-19)27-8-25-11-15(21)23-7-24-16(11)27/h3-5,7-8,10,12-13,18H,6H2,1-2H3,(H,26,28)(H2,21,23,24)/t10-,12-,13-,18-/m1/s1