2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-(3-nitrophenyl)-1-prop-2-enyl-2H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-(3-nitrophenyl)-1-prop-2-enyl-2H-pyrimidine-5-carboxylic acid Openeye Name: 1-allyl-2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-(3-nitrophenyl)-2H-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-4-methyl-6-(3-nitrophenyl)-1-prop-2-enyl-2H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-(3-nitrophenyl)-1-prop-2-enyl-2H-pyrimidine-5-carboxylic acid Traditional Name: 1-allyl-4-methyl-6-(3-nitrophenyl)-2-(p-anisylthio)-2H-pyrimidine-5-carboxylic acid Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])CC=C)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NC(N(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])CC=C)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H23N3O5S/c1-4-12-25-21(17-6-5-7-18(13-17)26(29)30)20(22(27)28)15(2)24-23(25)32-14-16-8-10-19(31-3)11-9-16/h4-11,13,23H,1,12,14H2,2-3H3,(H,27,28)