[(2R,3S,5R)-5-(4-azanyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-chlorophenyl)carbonyloxy-oxolan-2-yl]methyl 4-chloranylbenzoate

Systemtic Name: [(2R,3S,5R)-5-(4-azanyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-chlorophenyl)carbonyloxy-oxolan-2-yl]methyl 4-chloranylbenzoate Openeye Name: [(2R,3S,5R)-5-(4-amino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-chlorobenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R,3S,5R)-5-(4-amino-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl)-3-[(4-chlorophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(2R,3S,5R)-5-(4-amino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-chlorobenzoyl)oxy-tetrahydrofuran-2-yl]methyl ester Formula: C27H24Cl2N4O5 MolecularWeight: 555.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N)C3CC(C(O3)COC(=O)C4=CC=C(C=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N)[C@H]3C[C@@H]([C@H](O3)COC(=O)C4=CC=C(C=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C27H24Cl2N4O5/c1-14-15(2)33(25-23(14)24(30)31-13-32-25)22-11-20(38-27(35)17-5-9-19(29)10-6-17)21(37-22)12-36-26(34)16-3-7-18(28)8-4-16/h3-10,13,20-22H,11-12H2,1-2H3,(H2,30,31,32)/t20-,21+,22+/m0/s1