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

Systemtic Name: [2-azanyl-2-methyl-4-[5-[5-(3-methylphenyl)pent-1-ynyl]thiophen-2-yl]butyl] dihydrogen phosphate Openeye Name: [2-amino-2-methyl-4-[5-[5-(m-tolyl)pent-1-ynyl]-2-thienyl]butyl] dihydrogen phosphate CAS Name: [2-amino-2-methyl-4-[5-[5-(3-methylphenyl)pent-1-ynyl]-2-thiophenyl]butyl] dihydrogen phosphate IUPAC Name: [2-amino-2-methyl-4-[5-[5-(3-methylphenyl)pent-1-ynyl]thiophen-2-yl]butyl] dihydrogen phosphate Traditional Name: [2-amino-2-methyl-4-[5-[5-(m-tolyl)pent-1-ynyl]-2-thienyl]butyl] dihydrogen phosphate Formula: C21H28NO4PS MolecularWeight: 421.490081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCC#CC2=CC=C(S2)CCC(C)(COP(=O)(O)O)N

Isomeric SMILES

CC1=CC(=CC=C1)CCCC#CC2=CC=C(S2)CCC(C)(COP(=O)(O)O)N

InChI

InChI=1S/C21H28NO4PS/c1-17-7-6-9-18(15-17)8-4-3-5-10-19-11-12-20(28-19)13-14-21(2,22)16-26-27(23,24)25/h6-7,9,11-12,15H,3-4,8,13-14,16,22H2,1-2H3,(H2,23,24,25)