2-[3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-ylidene]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-ylidene]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-oxo-2-pyrrolidin-1-yl-ethylidene]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1-oxo-1-(1-pyrrolidinyl)propan-2-ylidene]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1-oxo-1-pyrrolidin-1-ylpropan-2-ylidene]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-keto-1-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-pyrrolidino-ethylidene]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=C(C=C3C=CC(=O)C(=C3)OC)C(=O)N4CCCC4)N2)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=C(C=C3C=CC(=O)C(=C3)OC)C(=O)N4CCCC4)N2)C

InChI

InChI=1S/C22H23N3O4S/c1-12-13(2)30-21-18(12)20(27)23-19(24-21)15(22(28)25-8-4-5-9-25)10-14-6-7-16(26)17(11-14)29-3/h6-7,10-11,24H,4-5,8-9H2,1-3H3,(H,23,27)