1-[4-[3-(dimethylamino)propylsulfanyl]-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-[3-(dimethylamino)propylsulfanyl]-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-[3-(dimethylamino)propylsulfanyl]-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone CAS Name: 1-[4-[3-(dimethylamino)propylthio]-6-methyl-2-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-[3-(dimethylamino)propylsulfanyl]-6-methyl-2-phenylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-[3-(dimethylamino)propylthio]-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCCN(C)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCCN(C)C)C(=O)C

InChI

InChI=1S/C18H23N3OS/c1-13-16(14(2)22)18(23-12-8-11-21(3)4)20-17(19-13)15-9-6-5-7-10-15/h5-7,9-10H,8,11-12H2,1-4H3