[(2R,3R,4R,5S)-5-[4-azanyl-7-(3-bromophenyl)-5-(furan-2-yl)-2-oxidanylidene-pyrido[2,3-d]pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5S)-5-[4-azanyl-7-(3-bromophenyl)-5-(furan-2-yl)-2-oxidanylidene-pyrido[2,3-d]pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5S)-5-[4-amino-7-(3-bromophenyl)-5-(2-furyl)-2-oxo-pyrido[2,3-d]pyrimidin-1-yl]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5S)-5-[4-amino-7-(3-bromophenyl)-5-(2-furanyl)-2-oxo-1-pyrido[2,3-d]pyrimidinyl]-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5S)-5-[4-amino-7-(3-bromophenyl)-5-(furan-2-yl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5S)-5-[4-amino-7-(3-bromophenyl)-5-(2-furyl)-2-keto-pyrido[2,3-d]pyrimidin-1-yl]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C43H31BrN4O9 MolecularWeight: 827.63164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C4=C(C(=CC(=N4)C5=CC(=CC=C5)Br)C6=CC=CO6)C(=NC3=O)N)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@H](O2)N3C4=C(C(=CC(=N4)C5=CC(=CC=C5)Br)C6=CC=CO6)C(=NC3=O)N)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C43H31BrN4O9/c44-29-19-10-18-28(22-29)31-23-30(32-20-11-21-53-32)34-37(45)47-43(52)48(38(34)46-31)39-36(57-42(51)27-16-8-3-9-17-27)35(56-41(50)26-14-6-2-7-15-26)33(55-39)24-54-40(49)25-12-4-1-5-13-25/h1-23,33,35-36,39H,24H2,(H2,45,47,52)/t33-,35-,36-,39+/m1/s1