ethane; ethanethiol; 4-methylpyrimidine; propane; thiophosphate

Systemtic Name: ethane; ethanethiol; 4-methylpyrimidine; propane; thiophosphate Openeye Name: ethane; ethanethiol; 4-methylpyrimidine; propane; thiophosphate CAS Name: ethane; ethanethiol; 4-methylpyrimidine; propane; thiophosphate IUPAC Name: ethane; ethanethiol; 4-methylpyrimidine; propane; thiophosphate Traditional Name: ethane; ethanethiol; 4-methylpyrimidine; n-propane; thiophosphate Formula: C12H26N2O3PS2-3 MolecularWeight: 341.450201

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCC.CCS.CC1=NC=NC=C1.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CCC.CCS.CC1=NC=NC=C1.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C5H6N2.C3H8.C2H6S.C2H6.H3O3PS/c1-5-2-3-6-4-7-5;1-3-2;1-2-3;1-2;1-4(2,3)5/h2-4H,1H3;3H2,1-2H3;3H,2H2,1H3;1-2H3;(H3,1,2,3,5)/p-3