2-[(4-ethoxyphenyl)methylsulfanyl]-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N3O4S/c1-4-29-19-9-6-16(7-10-19)13-30-22-23-15(3)20(21(26)24-22)12-17-11-18(25(27)28)8-5-14(17)2/h5-11H,4,12-13H2,1-3H3,(H,23,24,26)