5-chloranyl-2-(3-phenylpropylsulfanyl)pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(3-phenylpropylsulfanyl)pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-(3-phenylpropylsulfanyl)pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-(3-phenylpropylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-(3-phenylpropylsulfanyl)pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-(3-phenylpropylthio)pyrimidine-4-carboxylic acid Formula: C14H13ClN2O2S MolecularWeight: 308.78322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C14H13ClN2O2S/c15-11-9-16-14(17-12(11)13(18)19)20-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19)