2-[(E)-1-(4-butoxyphenyl)-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-butoxyphenyl)-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-butoxyphenyl)-1-(pyrrolidine-1-carbonyl)vinyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(E)-1-(4-butoxyphenyl)-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-butoxyphenyl)-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-butoxyphenyl)-1-(pyrrolidine-1-carbonyl)vinyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C(=O)N5CCCC5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)/C(=O)N5CCCC5

InChI

InChI=1S/C29H29N3O3S/c1-2-3-17-35-22-13-11-20(12-14-22)18-23(29(34)32-15-7-8-16-32)26-30-27(33)25-24(19-36-28(25)31-26)21-9-5-4-6-10-21/h4-6,9-14,18-19H,2-3,7-8,15-17H2,1H3,(H,30,31,33)/b23-18+