3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-imidazo[1,2-a]pyrimidinylmethylthio)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H17N5S2 MolecularWeight: 403.52318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CN4C=CC=NC4=N3)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CN4C=CC=NC4=N3)C5=CC=CS5

InChI

InChI=1S/C21H17N5S2/c22-11-17-15-5-1-2-6-16(15)19(18-7-3-10-27-18)25-20(17)28-13-14-12-26-9-4-8-23-21(26)24-14/h3-4,7-10,12H,1-2,5-6,13H2