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

Systemtic Name: ethane; 2-methoxy-4-methyl-6-prop-2-ynoxy-pyrimidine; propane; thiophosphate Openeye Name: ethane; 2-methoxy-4-methyl-6-prop-2-ynoxy-pyrimidine; propane; thiophosphate CAS Name: ethane; 2-methoxy-4-methyl-6-prop-2-ynoxypyrimidine; propane; thiophosphate IUPAC Name: ethane; 2-methoxy-4-methyl-6-prop-2-ynoxypyrimidine; propane; thiophosphate Traditional Name: ethane; 2-methoxy-4-methyl-6-propargyloxy-pyrimidine; n-propane; thiophosphate Formula: C14H24N2O5PS-3 MolecularWeight: 363.389521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O2.C3H8.C2H6.H3O3PS/c1-4-5-13-8-6-7(2)10-9(11-8)12-3;1-3-2;1-2;1-4(2,3)5/h1,6H,5H2,2-3H3;3H2,1-2H3;1-2H3;(H3,1,2,3,5)/p-3