2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C22H26N4OS/c27-21-20-17-8-4-5-9-18(17)28-22(20)24-19(23-21)15-26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,23,24,27)