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

Systemtic Name: ethane; 4-methyl-6-prop-2-ynoxy-pyrimidine; propane; thiophosphate Openeye Name: ethane; 4-methyl-6-prop-2-ynoxy-pyrimidine; propane; thiophosphate CAS Name: ethane; 4-methyl-6-prop-2-ynoxypyrimidine; propane; thiophosphate IUPAC Name: ethane; 4-methyl-6-prop-2-ynoxypyrimidine; propane; thiophosphate Traditional Name: ethane; 4-methyl-6-propargyloxy-pyrimidine; n-propane; thiophosphate Formula: C13H22N2O4PS-3 MolecularWeight: 333.363541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O.C3H8.C2H6.H3O3PS/c1-3-4-11-8-5-7(2)9-6-10-8;1-3-2;1-2;1-4(2,3)5/h1,5-6H,4H2,2H3;3H2,1-2H3;1-2H3;(H3,1,2,3,5)/p-3