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

Systemtic Name: 2-[(E)-1-(3-hydroxyphenyl)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-en-2-yl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(E)-2-(3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)vinyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(E)-1-(3-hydroxyphenyl)-3-oxo-3-(1-pyrrolidinyl)prop-1-en-2-yl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(E)-1-(3-hydroxyphenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(E)-2-(3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)vinyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC(=CC=C3)O)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C\C3=CC(=CC=C3)O)/C(=O)N4CCCC4)C

InChI

InChI=1S/C21H21N3O3S/c1-12-13(2)28-20-17(12)19(26)22-18(23-20)16(21(27)24-8-3-4-9-24)11-14-6-5-7-15(25)10-14/h5-7,10-11,25H,3-4,8-9H2,1-2H3,(H,22,23,26)/b16-11+