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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-2-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-2-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-2-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-6-methyl-2-(p-anisylthio)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(N1)(C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(CNC(N1)(C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H28N2O4S/c1-19-25(26(30)31)16-28-27(29-19,34-18-21-8-12-23(32-2)13-9-21)22-10-14-24(15-11-22)33-17-20-6-4-3-5-7-20/h3-15,28-29H,16-18H2,1-2H3,(H,30,31)