2-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 2-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-phenyl-4-(1-piperazinyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-phenyl-4-piperazin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-phenyl-4-piperazino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C20H22N4S MolecularWeight: 350.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C20H22N4S/c1-2-6-14(7-3-1)18-22-19(24-12-10-21-11-13-24)17-15-8-4-5-9-16(15)25-20(17)23-18/h1-3,6-7,21H,4-5,8-13H2