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

Systemtic Name: [(2R,3S,5R)-5-[2-azanyl-4-chloranyl-5-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5R)-5-[2-amino-4-chloro-5-(2-hydroxyethyl)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-[2-amino-4-chloro-5-(2-hydroxyethyl)-7-pyrrolo[2,3-d]pyrimidinyl]-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-[2-amino-4-chloro-5-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5R)-5-[2-amino-4-chloro-5-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C29H29ClN4O6 MolecularWeight: 565.01676

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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)N)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)N)CCO)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H29ClN4O6/c1-16-3-7-18(8-4-16)27(36)38-15-22-21(40-28(37)19-9-5-17(2)6-10-19)13-23(39-22)34-14-20(11-12-35)24-25(30)32-29(31)33-26(24)34/h3-10,14,21-23,35H,11-13,15H2,1-2H3,(H2,31,32,33)/t21-,22+,23+/m0/s1