ethane; 4-methyl-2-propan-2-yl-6-prop-2-ynoxy-pyrimidine; propane; thiophosphate

Systemtic Name: ethane; 4-methyl-2-propan-2-yl-6-prop-2-ynoxy-pyrimidine; propane; thiophosphate Openeye Name: ethane; 2-isopropyl-4-methyl-6-prop-2-ynoxy-pyrimidine; propane; thiophosphate CAS Name: ethane; 4-methyl-2-propan-2-yl-6-prop-2-ynoxypyrimidine; propane; thiophosphate IUPAC Name: ethane; 4-methyl-2-propan-2-yl-6-prop-2-ynoxypyrimidine; propane; thiophosphate Traditional Name: ethane; 2-isopropyl-4-methyl-6-propargyloxy-pyrimidine; n-propane; thiophosphate Formula: C16H28N2O4PS-3 MolecularWeight: 375.443281

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCC.CC1=CC(=NC(=N1)C(C)C)OCC#C.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CCC.CC1=CC(=NC(=N1)C(C)C)OCC#C.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C11H14N2O.C3H8.C2H6.H3O3PS/c1-5-6-14-10-7-9(4)12-11(13-10)8(2)3;1-3-2;1-2;1-4(2,3)5/h1,7-8H,6H2,2-4H3;3H2,1-2H3;1-2H3;(H3,1,2,3,5)/p-3