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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-phenylmethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3-benzyloxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(3-phenylmethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-phenylmethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3-benzoxyphenyl)-6-methyl-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H26N2O4S/c1-18-24(26(30)31)25(29-27(28-18)34-17-20-11-13-22(32-2)14-12-20)21-9-6-10-23(15-21)33-16-19-7-4-3-5-8-19/h3-15,25H,16-17H2,1-2H3,(H,28,29)(H,30,31)