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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

InChI

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