2-[2-[(5-ethynyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(5-ethynyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-ethynyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-ethynyl-2-methoxyphenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-ethynyl-2-methoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-ethynyl-2-methoxy-benzyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#C)CSC2=CC=CC=C2C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)C#C)CSC2=CC=CC=C2C3=NCCCN3

InChI

InChI=1S/C20H20N2OS/c1-3-15-9-10-18(23-2)16(13-15)14-24-19-8-5-4-7-17(19)20-21-11-6-12-22-20/h1,4-5,7-10,13H,6,11-12,14H2,2H3,(H,21,22)