4-(5-methyl-2-propylsulfanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(5-methyl-2-propylsulfanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(5-methyl-2-propylsulfanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[5-methyl-2-(propylthio)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(5-methyl-2-propylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[5-methyl-2-(propylthio)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)O)C

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)O)C

InChI

InChI=1S/C13H15N3O2S/c1-3-4-19-13-15-6-8(2)11(16-13)9-5-10(12(17)18)14-7-9/h5-7,14H,3-4H2,1-2H3,(H,17,18)