2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-6-phenyl-pyrimidine

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-6-phenyl-pyrimidine Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-6-phenyl-pyrimidine CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-methyl-6-phenylpyrimidine IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-6-phenylpyrimidine Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-methyl-6-phenyl-pyrimidine Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H17ClN2O2S/c1-13-7-18(14-5-3-2-4-6-14)23-20(22-13)26-11-16-9-17(21)8-15-10-24-12-25-19(15)16/h2-9H,10-12H2,1H3