(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (7-methoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (7-methoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H22N4O2S/c1-28-17-5-6-18-15(13-17)3-4-16-14-19(29-20(16)18)21(27)25-9-11-26(12-10-25)22-23-7-2-8-24-22/h2,5-8,13-14H,3-4,9-12H2,1H3