(phenylmethyl) N-[2-[[(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]methoxysulfonylcarbamoyl]phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[[(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]methoxysulfonylcarbamoyl]phenyl]carbamate Openeye Name: benzyl N-[2-[[(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]methoxysulfonylcarbamoyl]phenyl]carbamate CAS Name: N-[2-[[[(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]methoxysulfonylamino]-oxomethyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[[(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]methoxysulfonylcarbamoyl]phenyl]carbamate Traditional Name: N-[2-[[(3aR,4R,6R,6aR)-4-adenin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonylcarbamoyl]phenyl]carbamic acid benzyl ester Formula: C28H29N7O9S MolecularWeight: 639.63636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4N)COS(=O)(=O)NC(=O)C5=CC=CC=C5NC(=O)OCC6=CC=CC=C6)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=CC=CC=C5NC(=O)OCC6=CC=CC=C6)C

InChI

InChI=1S/C28H29N7O9S/c1-28(2)43-21-19(42-26(22(21)44-28)35-15-32-20-23(29)30-14-31-24(20)35)13-41-45(38,39)34-25(36)17-10-6-7-11-18(17)33-27(37)40-12-16-8-4-3-5-9-16/h3-11,14-15,19,21-22,26H,12-13H2,1-2H3,(H,33,37)(H,34,36)(H2,29,30,31)/t19-,21-,22-,26-/m1/s1