4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-benzofurazan-4-yl-6-methyl-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC=CC4=NON=C43)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC=CC4=NON=C43)C(=O)O

InChI

InChI=1S/C20H18N4O4S/c1-11-16(19(25)26)18(14-4-3-5-15-17(14)24-28-23-15)22-20(21-11)29-10-12-6-8-13(27-2)9-7-12/h3-9,18H,10H2,1-2H3,(H,21,22)(H,25,26)