3-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4O3S/c31-23(28-14-10-20(11-15-28)25(32)29-12-6-1-2-7-13-29)17-30-18-27-24-21(26(30)33)16-22(34-24)19-8-4-3-5-9-19/h3-5,8-9,16,18,20H,1-2,6-7,10-15,17H2