N-[9-[(3aR,4R,6R,6aR)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-bromanyl-purin-6-yl]benzamide

Systemtic Name: N-[9-[(3aR,4R,6R,6aR)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-bromanyl-purin-6-yl]benzamide Openeye Name: N-[9-[(3aR,4R,6R,6aR)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-bromo-purin-6-yl]benzamide CAS Name: N-[9-[(3aR,4R,6R,6aR)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-bromo-6-purinyl]benzamide IUPAC Name: N-[9-[(3aR,4R,6R,6aR)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-bromopurin-6-yl]benzamide Traditional Name: N-[9-[(3aR,4R,6R,6aR)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-bromo-purin-6-yl]benzamide Formula: C41H38BrN5O7 MolecularWeight: 792.67372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C4=C(C(=NC=N4)NC(=O)C5=CC=CC=C5)N=C3Br)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C4=C(C(=NC=N4)NC(=O)C5=CC=CC=C5)N=C3Br)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C

InChI

InChI=1S/C41H38BrN5O7/c1-40(2)53-33-31(23-51-41(26-13-9-6-10-14-26,27-15-19-29(49-3)20-16-27)28-17-21-30(50-4)22-18-28)52-38(34(33)54-40)47-36-32(45-39(47)42)35(43-24-44-36)46-37(48)25-11-7-5-8-12-25/h5-22,24,31,33-34,38H,23H2,1-4H3,(H,43,44,46,48)/t31-,33-,34-,38-/m1/s1