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

Systemtic Name: 2-butylsulfanyl-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-butylsulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-butylsulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-(butylthio)-6-phenyl-1H-pyrimidin-4-one Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS/c1-2-3-14-25-21-22-19(17-12-8-5-9-13-17)18(20(24)23-21)15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,22,23,24)