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

Systemtic Name: [2-azanyl-2-methyl-4-[5-[5-(4-methylsulfanylphenyl)pent-1-ynyl]thiophen-2-yl]butyl] dihydrogen phosphate Openeye Name: [2-amino-2-methyl-4-[5-[5-(4-methylsulfanylphenyl)pent-1-ynyl]-2-thienyl]butyl] dihydrogen phosphate CAS Name: [2-amino-2-methyl-4-[5-[5-[4-(methylthio)phenyl]pent-1-ynyl]-2-thiophenyl]butyl] dihydrogen phosphate IUPAC Name: [2-amino-2-methyl-4-[5-[5-(4-methylsulfanylphenyl)pent-1-ynyl]thiophen-2-yl]butyl] dihydrogen phosphate Traditional Name: [2-amino-2-methyl-4-[5-[5-[4-(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=C(C=C2)SC)(COP(=O)(O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H28NO4PS2/c1-21(22,16-26-27(23,24)25)15-14-20-13-12-19(29-20)7-5-3-4-6-17-8-10-18(28-2)11-9-17/h8-13H,3-4,6,14-16,22H2,1-2H3,(H2,23,24,25)