5-iodanyl-6-(phenylmethyl)-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-iodanyl-6-(phenylmethyl)-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-iodo-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-iodo-6-(phenylmethyl)-2-(3-phenylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-5-iodo-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-iodo-2-(3-phenylpropylthio)-1H-pyrimidin-4-one Formula: C20H19IN2OS MolecularWeight: 462.34713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NC(=O)C(=C(N2)CC3=CC=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NC(=O)C(=C(N2)CC3=CC=CC=C3)I

InChI

InChI=1S/C20H19IN2OS/c21-18-17(14-16-10-5-2-6-11-16)22-20(23-19(18)24)25-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,22,23,24)