4-[2,3-bis(oxidanyl)propylamino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-[2,3-bis(oxidanyl)propylamino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(2,3-dihydroxypropylamino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-(2,3-dihydroxypropylamino)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(2,3-dihydroxypropylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-(glycerylamino)-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCC(CO)O)C=O

Isomeric SMILES

CSC1=NC=C(C(=N1)NCC(CO)O)C=O

InChI

InChI=1S/C9H13N3O3S/c1-16-9-11-2-6(4-13)8(12-9)10-3-7(15)5-14/h2,4,7,14-15H,3,5H2,1H3,(H,10,11,12)