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

Systemtic Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O2S/c1-5-11-27-15(2)12-19(17(27)4)20(28)13-26-14-25-23-21(24(26)29)16(3)22(30-23)18-9-7-6-8-10-18/h5-10,12,14H,1,11,13H2,2-4H3