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

Systemtic Name: 5,6-dimethyl-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(2-phenoxyethyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)CCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)CCOC4=CC=CC=C4)C

InChI

InChI=1S/C21H26N4O2S/c1-15-16(2)28-21-19(15)20(26)22-18(23-21)14-25-10-8-24(9-11-25)12-13-27-17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H,22,23,26)