1-[[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylmethyl]isoquinoline

Systemtic Name: 1-[[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylmethyl]isoquinoline Openeye Name: 1-[[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylmethyl]isoquinoline CAS Name: 1-[[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]methyl]isoquinoline IUPAC Name: 1-[[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylmethyl]isoquinoline Traditional Name: 1-[[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]methyl]isoquinoline Formula: C21H17N3OS MolecularWeight: 359.44418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC3=NC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C21H17N3OS/c1-25-17-8-6-16(7-9-17)19-11-13-23-21(24-19)26-14-20-18-5-3-2-4-15(18)10-12-22-20/h2-13H,14H2,1H3