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

Systemtic Name: 3-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N3O2S/c1-14-10-18(15(2)26(14)17-8-9-17)20(27)11-25-13-24-22-21(23(25)28)19(12-29-22)16-6-4-3-5-7-16/h3-7,10,12-13,17H,8-9,11H2,1-2H3