(phenylmethyl) 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate Openeye Name: benzyl 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid benzyl ester Formula: C26H25BrN2O3S MolecularWeight: 525.4573

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25BrN2O3S/c1-31-23-13-12-21(27)16-20(23)18-33-24-11-6-5-10-22(24)25-28-14-7-15-29(25)26(30)32-17-19-8-3-2-4-9-19/h2-6,8-13,16H,7,14-15,17-18H2,1H3