2-butylsulfanyl-6-chloranyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-butylsulfanyl-6-chloranyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-butylsulfanyl-6-chloro-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-6-chloro-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-butylsulfanyl-6-chloro-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-(butylthio)-6-chloro-1H-pyrimidin-4-one Formula: C15H17ClN2OS MolecularWeight: 308.82628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)Cl)CC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C15H17ClN2OS/c1-2-3-9-20-15-17-13(16)12(14(19)18-15)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,17,18,19)