5,6-dimethyl-2-[(E)-3-oxidanylidene-1-(3-phenylmethoxyphenyl)-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-(3-phenylmethoxyphenyl)-3-pyrrolidin-1-yl-prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(E)-2-(3-benzyloxyphenyl)-1-(pyrrolidine-1-carbonyl)vinyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(E)-3-oxo-1-(3-phenylmethoxyphenyl)-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-(3-phenylmethoxyphenyl)-3-pyrrolidin-1-ylprop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(E)-2-(3-benzoxyphenyl)-1-(pyrrolidine-1-carbonyl)vinyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)N5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C\C3=CC(=CC=C3)OCC4=CC=CC=C4)/C(=O)N5CCCC5)C

InChI

InChI=1S/C28H27N3O3S/c1-18-19(2)35-27-24(18)26(32)29-25(30-27)23(28(33)31-13-6-7-14-31)16-21-11-8-12-22(15-21)34-17-20-9-4-3-5-10-20/h3-5,8-12,15-16H,6-7,13-14,17H2,1-2H3,(H,29,30,32)/b23-16+