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

Systemtic Name: [2-azanyl-2-methyl-4-[5-[5-(3-methylsulfanylphenyl)pent-1-ynyl]thiophen-2-yl]butyl] dihydrogen phosphate Openeye Name: [2-amino-2-methyl-4-[5-[5-(3-methylsulfanylphenyl)pent-1-ynyl]-2-thienyl]butyl] dihydrogen phosphate CAS Name: [2-amino-2-methyl-4-[5-[5-[3-(methylthio)phenyl]pent-1-ynyl]-2-thiophenyl]butyl] dihydrogen phosphate IUPAC Name: [2-amino-2-methyl-4-[5-[5-(3-methylsulfanylphenyl)pent-1-ynyl]thiophen-2-yl]butyl] dihydrogen phosphate Traditional Name: [2-amino-2-methyl-4-[5-[5-[3-(methylthio)phenyl]pent-1-ynyl]-2-thienyl]butyl] dihydrogen phosphate Formula: C21H28NO4PS2 MolecularWeight: 453.555081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28NO4PS2/c1-21(22,16-26-27(23,24)25)14-13-19-12-11-18(29-19)9-5-3-4-7-17-8-6-10-20(15-17)28-2/h6,8,10-12,15H,3-4,7,13-14,16,22H2,1-2H3,(H2,23,24,25)