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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C16H21N3O2S/c1-2-12-9-13-15(22-12)17-11-19(16(13)21)10-14(20)18-7-5-3-4-6-8-18/h9,11H,2-8,10H2,1H3