5,6-dimethyl-2-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(3-phenoxypropyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(3-phenoxypropyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)CCCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)CCCOC4=CC=CC=C4)C

InChI

InChI=1S/C22H28N4O2S/c1-16-17(2)29-22-20(16)21(27)23-19(24-22)15-26-12-10-25(11-13-26)9-6-14-28-18-7-4-3-5-8-18/h3-5,7-8H,6,9-15H2,1-2H3,(H,23,24,27)