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

Systemtic Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-phenoxyethyl)piperazino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H26N4O2S/c30-24-23-21(19-7-3-1-4-8-19)18-32-25(23)27-22(26-24)17-29-13-11-28(12-14-29)15-16-31-20-9-5-2-6-10-20/h1-10,18H,11-17H2,(H,26,27,30)