5-chloranyl-N-(phenylmethyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(phenylmethyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-N-benzyl-5-chloro-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(phenylmethyl)-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-N-benzyl-5-chloro-pyrimidine-4-carboxamide Formula: C15H14ClN3OS MolecularWeight: 319.80916

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC=C2)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC=C2)Cl

InChI

InChI=1S/C15H14ClN3OS/c1-2-8-21-15-18-10-12(16)13(19-15)14(20)17-9-11-6-4-3-5-7-11/h2-7,10H,1,8-9H2,(H,17,20)