4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(2-pyrimidyl)piperazino]methanone Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H24N4OS/c24-18(17-14-15-6-3-1-2-4-7-16(15)25-17)22-10-12-23(13-11-22)19-20-8-5-9-21-19/h5,8-9,14H,1-4,6-7,10-13H2