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

Systemtic Name: 3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c1-13-9-16(14(2)23(13)3)18(25)10-24-12-22-20-19(21(24)26)17(11-27-20)15-7-5-4-6-8-15/h4-9,11-12H,10H2,1-3H3