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

Systemtic Name: 5-methyl-6-(phenylmethyl)-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-methyl-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-methyl-6-(phenylmethyl)-2-(3-phenylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-5-methyl-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-methyl-2-(3-phenylpropylthio)-1H-pyrimidin-4-one Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCCCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=NC1=O)SCCCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS/c1-16-19(15-18-11-6-3-7-12-18)22-21(23-20(16)24)25-14-8-13-17-9-4-2-5-10-17/h2-7,9-12H,8,13-15H2,1H3,(H,22,23,24)