[(2R,3S,4R,5R)-5-[6-[bis[(4-methylphenyl)carbonyl]amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R)-5-[6-[bis[(4-methylphenyl)carbonyl]amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R)-5-[6-[bis(4-methylbenzoyl)amino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R)-5-[6-[bis[(4-methylphenyl)-oxomethyl]amino]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-[6-[bis(4-methylbenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R)-5-[6-[bis(p-toluoyl)amino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C28H27N5O7 MolecularWeight: 545.54328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C)O)O)C(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)O)O)C(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H27N5O7/c1-15-4-8-18(9-5-15)26(37)33(27(38)19-10-6-16(2)7-11-19)25-21-24(29-13-30-25)32(14-31-21)28-23(36)22(35)20(40-28)12-39-17(3)34/h4-11,13-14,20,22-23,28,35-36H,12H2,1-3H3/t20-,22-,23-,28-/m1/s1