5,6-dimethyl-2-[(E)-3-oxidanylidene-1-(5-phenylthiophen-2-yl)-3-pyrrolidin-1-yl-prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(E)-3-oxidanylidene-1-(5-phenylthiophen-2-yl)-3-pyrrolidin-1-yl-prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(E)-2-(5-phenyl-2-thienyl)-1-(pyrrolidine-1-carbonyl)vinyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(E)-3-oxo-1-(5-phenyl-2-thiophenyl)-3-(1-pyrrolidinyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(E)-3-oxo-1-(5-phenylthiophen-2-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(E)-2-(5-phenyl-2-thienyl)-1-(pyrrolidine-1-carbonyl)vinyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC=C(S3)C4=CC=CC=C4)C(=O)N5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C\C3=CC=C(S3)C4=CC=CC=C4)/C(=O)N5CCCC5)C

InChI

InChI=1S/C25H23N3O2S2/c1-15-16(2)31-24-21(15)23(29)26-22(27-24)19(25(30)28-12-6-7-13-28)14-18-10-11-20(32-18)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,26,27,29)/b19-14+