2-[2-[(2-methoxy-5-thiophen-3-yl-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(2-methoxy-5-thiophen-3-yl-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[[2-methoxy-5-(3-thienyl)phenyl]methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[[2-methoxy-5-(3-thiophenyl)phenyl]methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(2-methoxy-5-thiophen-3-ylphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[[2-methoxy-5-(3-thienyl)benzyl]thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C22H22N2OS2 MolecularWeight: 394.55288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC=C2)CSC3=CC=CC=C3C4=NCCCN4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC=C2)CSC3=CC=CC=C3C4=NCCCN4

InChI

InChI=1S/C22H22N2OS2/c1-25-20-8-7-16(17-9-12-26-14-17)13-18(20)15-27-21-6-3-2-5-19(21)22-23-10-4-11-24-22/h2-3,5-9,12-14H,4,10-11,15H2,1H3,(H,23,24)