2-methyl-5-[2-(phenylmethyl)sulfinylethyl]-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-[2-(phenylmethyl)sulfinylethyl]-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-(2-benzylsulfinylethyl)-2-methyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-[2-(phenylmethyl)sulfinylethyl]-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-(2-benzylsulfinylethyl)-2-methyl-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-(2-benzylsulfinylethyl)-2-methyl-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=NC=C2)CCS(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=NC=C2)CCS(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-16-23-20(8-7-17-9-12-22-13-10-17)19(21(25)24-16)11-14-27(26)15-18-5-3-2-4-6-18/h2-10,12-13H,11,14-15H2,1H3,(H,23,24,25)/b8-7+