5-chloranyl-2-(3-phenylpropylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-(3-phenylpropylsulfanyl)pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-(3-phenylpropylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(3-phenylpropylthio)-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-(3-phenylpropylsulfanyl)pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(3-phenylpropylthio)pyrimidine-4-carboxylate Formula: C14H12ClN2O2S- MolecularWeight: 307.77528

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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)/p-1