2-cyanoethylsulfanyl-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl]oxy-phosphinic acid

Systemtic Name: 2-cyanoethylsulfanyl-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl]oxy-phosphinic acid Openeye Name: 2-cyanoethylsulfanyl-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-[(9-phenylxanthen-9-yl)oxymethyl]tetrahydrofuran-3-yl]oxy-phosphinic acid CAS Name: (2-cyanoethylthio)-[[5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-[(9-phenyl-9-xanthenyl)oxymethyl]-3-oxolanyl]oxy]phosphinic acid IUPAC Name: 2-cyanoethylsulfanyl-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl]oxyphosphinic acid Traditional Name: (2-cyanoethylthio)-[5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-[(9-phenylxanthen-9-yl)oxymethyl]tetrahydrofuran-3-yl]oxy-phosphinic acid Formula: C32H30N3O8PS MolecularWeight: 647.634661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC3(C4=CC=CC=C4OC5=CC=CC=C53)C6=CC=CC=C6)OP(=O)(O)SCCC#N

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC3(C4=CC=CC=C4OC5=CC=CC=C53)C6=CC=CC=C6)OP(=O)(O)SCCC#N

InChI

InChI=1S/C32H30N3O8PS/c1-21-19-35(31(37)34-30(21)36)29-18-27(43-44(38,39)45-17-9-16-33)28(42-29)20-40-32(22-10-3-2-4-11-22)23-12-5-7-14-25(23)41-26-15-8-6-13-24(26)32/h2-8,10-15,19,27-29H,9,17-18,20H2,1H3,(H,38,39)(H,34,36,37)