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

Systemtic Name: 5,6-dimethyl-2-[(E)-1-(3-methylphenyl)-3-oxidanylidene-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-(m-tolyl)-1-(pyrrolidine-1-carbonyl)vinyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(E)-1-(3-methylphenyl)-3-oxo-3-(1-pyrrolidinyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(E)-1-(3-methylphenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(E)-2-(m-tolyl)-1-(pyrrolidine-1-carbonyl)vinyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C2=NC3=C(C(=C(S3)C)C)C(=O)N2)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C2=NC3=C(C(=C(S3)C)C)C(=O)N2)/C(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O2S/c1-13-7-6-8-16(11-13)12-17(22(27)25-9-4-5-10-25)19-23-20(26)18-14(2)15(3)28-21(18)24-19/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,23,24,26)/b17-12+