(phenylmethyl) 2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]-2-methyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]-2-methyl-propanoate Openeye Name: benzyl 2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]-2-methyl-propanoate CAS Name: 2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-phenoxyphosphoryl]amino]-2-methylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-2-methylpropanoate Traditional Name: 2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]-2-methyl-propionic acid benzyl ester Formula: C28H31BrN3O9P MolecularWeight: 664.438201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CC=CC=C1)NP(=O)(OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C=CBr)O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)/C=C/Br)O)OC4=CC=CC=C4

InChI

InChI=1S/C28H31BrN3O9P/c1-28(2,26(35)38-17-19-9-5-3-6-10-19)31-42(37,41-21-11-7-4-8-12-21)39-18-23-22(33)15-24(40-23)32-16-20(13-14-29)25(34)30-27(32)36/h3-14,16,22-24,33H,15,17-18H2,1-2H3,(H,31,37)(H,30,34,36)/b14-13+/t22-,23+,24+,42?/m0/s1