5-iodanyl-2-phenethylsulfanyl-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-iodanyl-2-phenethylsulfanyl-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-iodo-2-phenethylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-iodo-2-(phenethylthio)-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-5-iodo-2-phenethylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-iodo-2-(phenethylthio)-1H-pyrimidin-4-one Formula: C19H17IN2OS MolecularWeight: 448.32055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=O)C(=C(N2)CC3=CC=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=O)C(=C(N2)CC3=CC=CC=C3)I

InChI

InChI=1S/C19H17IN2OS/c20-17-16(13-15-9-5-2-6-10-15)21-19(22-18(17)23)24-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,21,22,23)