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

Systemtic Name: 3-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C21H28N4O3S/c26-18(7-13-25-15-22-19-17(21(25)28)8-14-29-19)23-11-5-16(6-12-23)20(27)24-9-3-1-2-4-10-24/h8,14-16H,1-7,9-13H2