2-[(E)-1-(4-tert-butylphenyl)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-en-2-yl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(E)-1-(4-tert-butylphenyl)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-en-2-yl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(E)-2-(4-tert-butylphenyl)-1-(pyrrolidine-1-carbonyl)vinyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(E)-1-(4-tert-butylphenyl)-3-oxo-3-(1-pyrrolidinyl)prop-1-en-2-yl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(E)-1-(4-tert-butylphenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(E)-2-(4-tert-butylphenyl)-1-(pyrrolidine-1-carbonyl)vinyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C29H29N3O2S MolecularWeight: 483.62446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C(=O)N5CCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)/C(=O)N5CCCC5

InChI

InChI=1S/C29H29N3O2S/c1-29(2,3)21-13-11-19(12-14-21)17-22(28(34)32-15-7-8-16-32)25-30-26(33)24-23(18-35-27(24)31-25)20-9-5-4-6-10-20/h4-6,9-14,17-18H,7-8,15-16H2,1-3H3,(H,30,31,33)/b22-17+