3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N3O2S/c1-4-25-14(2)10-17(15(25)3)19(26)12-24-13-23-21-18(22(24)27)11-20(28-21)16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3