2-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(azepane-1-carbonyl)-1-piperidyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H30N4O2S/c30-23-22-20(18-8-4-3-5-9-18)17-32-24(22)27-21(26-23)16-28-14-10-19(11-15-28)25(31)29-12-6-1-2-7-13-29/h3-5,8-9,17,19H,1-2,6-7,10-16H2,(H,26,27,30)