5-chloranyl-N-(4-ethoxyphenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-ethoxyphenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-ethoxyphenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-ethoxyphenyl)-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-ethoxyphenyl)-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-p-phenetyl-2-(propylthio)pyrimidine-4-carboxamide Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)OCC)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)OCC)Cl

InChI

InChI=1S/C16H18ClN3O2S/c1-3-9-23-16-18-10-13(17)14(20-16)15(21)19-11-5-7-12(8-6-11)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)