2-[2-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(2-methoxy-1-naphthyl)sulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[[(2-methoxy-1-naphthalenyl)thio]methyl]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[[(2-methoxy-1-naphthyl)thio]methyl]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)SCC3=CC=CC=C3C4=NCCCN4

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)SCC3=CC=CC=C3C4=NCCCN4

InChI

InChI=1S/C22H22N2OS/c1-25-20-12-11-16-7-2-4-9-18(16)21(20)26-15-17-8-3-5-10-19(17)22-23-13-6-14-24-22/h2-5,7-12H,6,13-15H2,1H3,(H,23,24)