2-[3-(4-chloranyl-3-methyl-phenoxy)propylsulfanyl]-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(4-chloranyl-3-methyl-phenoxy)propylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[3-(4-chloro-3-methyl-phenoxy)propylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[3-(4-chloro-3-methylphenoxy)propylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-(4-chloro-3-methylphenoxy)propylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[3-(4-chloro-3-methyl-phenoxy)propylthio]-6-phenyl-1H-pyrimidin-4-one Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H19ClN2O2S/c1-14-12-16(8-9-17(14)21)25-10-5-11-26-20-22-18(13-19(24)23-20)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,22,23,24)