[(2R,3S,5R)-5-[4-chloranyl-5-(2-hydroxyethyl)-2-methylsulfinyl-pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3S,5R)-5-[4-chloranyl-5-(2-hydroxyethyl)-2-methylsulfinyl-pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5R)-5-[4-chloro-5-(2-hydroxyethyl)-2-methylsulfinyl-pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5R)-5-[4-chloro-5-(2-hydroxyethyl)-2-methylsulfinyl-7-pyrrolo[2,3-d]pyrimidinyl]-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-[4-chloro-5-(2-hydroxyethyl)-2-methylsulfinylpyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5R)-5-[4-chloro-5-(2-hydroxyethyl)-2-methylsulfinyl-pyrrolo[2,3-d]pyrimidin-7-yl]-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C30H30ClN3O7S MolecularWeight: 612.0931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C4=C3N=C(N=C4Cl)S(=O)C)CCO)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C4=C3N=C(N=C4Cl)S(=O)C)CCO)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C30H30ClN3O7S/c1-17-4-8-19(9-5-17)28(36)39-16-23-22(41-29(37)20-10-6-18(2)7-11-20)14-24(40-23)34-15-21(12-13-35)25-26(31)32-30(42(3)38)33-27(25)34/h4-11,15,22-24,35H,12-14,16H2,1-3H3/t22-,23+,24+,42?/m0/s1