1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[oxidanidyl(oxidanyl)phosphinothioyl]oxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium

Systemtic Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[oxidanidyl(oxidanyl)phosphinothioyl]oxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium Openeye Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[hydroxy(oxido)phosphinothioyl]oxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium CAS Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy(oxido)phosphinothioyl]oxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium IUPAC Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy(oxido)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium Traditional Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[hydroxy(oxido)thiophosphoryl]oxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimid[1,2-a]azepin-5-ium Formula: C40H49N4O9PS MolecularWeight: 792.877221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=S)(O)[O-].C1CCC2=[N+](CC1)CCCN2

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=S)(O)[O-].C1CCC2=[N+](CC1)CCCN2

InChI

InChI=1S/C31H33N2O9PS.C9H16N2/c1-20-18-33(30(35)32-29(20)34)28-17-26(42-43(36,37)44)27(41-28)19-40-31(21-7-5-4-6-8-21,22-9-13-24(38-2)14-10-22)23-11-15-25(39-3)16-12-23;1-2-5-9-10-6-4-8-11(9)7-3-1/h4-16,18,26-28H,17,19H2,1-3H3,(H,32,34,35)(H2,36,37,44);1-8H2/t26-,27+,28+;/m0./s1