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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)CC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)CC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

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/h4-11,13,21H,1,12,14H2,2-3H3,(H,27,28)