(4-pyrimidin-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H23N5OS/c27-19(24-12-14-26(15-13-24)21-22-8-5-9-23-21)18-16-6-1-2-7-17(16)28-20(18)25-10-3-4-11-25/h3-5,8-11H,1-2,6-7,12-15H2