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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=NCC(=CN2)C(=O)O)SCC3=CC=C(C=C3)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1C2=NCC(=CN2)C(=O)O)SCC3=CC=C(C=C3)OC)OCC4=CC=CC=C4

InChI

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