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

Systemtic Name: 3-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C19H22N4O2S/c1-21-9-5-7-15(21)16-6-3-2-4-10-23(16)17(24)12-22-13-20-18-14(19(22)25)8-11-26-18/h5,7-9,11,13,16H,2-4,6,10,12H2,1H3