[2-azanyl-4-[5-[5-(3,4-dimethoxyphenyl)pent-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[5-[5-(3,4-dimethoxyphenyl)pent-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[5-[5-(3,4-dimethoxyphenyl)pent-1-ynyl]-2-thienyl]-2-methyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[5-[5-(3,4-dimethoxyphenyl)pent-1-ynyl]-2-thiophenyl]-2-methylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[5-[5-(3,4-dimethoxyphenyl)pent-1-ynyl]thiophen-2-yl]-2-methylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[5-[5-(3,4-dimethoxyphenyl)pent-1-ynyl]-2-thienyl]-2-methyl-butyl] dihydrogen phosphate Formula: C22H30NO6PS MolecularWeight: 467.515461

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCCC2=CC(=C(C=C2)OC)OC)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCCCC2=CC(=C(C=C2)OC)OC)(COP(=O)(O)O)N

InChI

InChI=1S/C22H30NO6PS/c1-22(23,16-29-30(24,25)26)14-13-19-11-10-18(31-19)8-6-4-5-7-17-9-12-20(27-2)21(15-17)28-3/h9-12,15H,4-5,7,13-14,16,23H2,1-3H3,(H2,24,25,26)