5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[(4-methoxy-3-nitrophenyl)methylthio]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-5-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-[2-[(4-methoxy-3-nitro-benzyl)thio]ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CCSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CCSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-15-18(22(26)24-21(23-15)13-16-6-4-3-5-7-16)10-11-30-14-17-8-9-20(29-2)19(12-17)25(27)28/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,24,26)