3-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H28N4O3S2 MolecularWeight: 484.63412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

InChI

InChI=1S/C24H28N4O3S2/c29-20(26-11-7-17(8-12-26)23(30)27-9-3-1-2-4-10-27)14-28-16-25-22-21(24(28)31)18(15-33-22)19-6-5-13-32-19/h5-6,13,15-17H,1-4,7-12,14H2