2-[(Z)-1-chloranyl-2-(4-dimethylaminophenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-dimethylaminophenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(4-dimethylaminophenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(4-dimethylaminophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(4-dimethylaminophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(4-dimethylaminophenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H15ClN3O3S- MolecularWeight: 388.848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC=C(C=C3)N(C)C)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=CC=C(C=C3)N(C)C)/Cl)C(=O)[O-]

InChI

InChI=1S/C18H16ClN3O3S/c1-9-13-16(23)20-15(21-17(13)26-14(9)18(24)25)12(19)8-10-4-6-11(7-5-10)22(2)3/h4-8H,1-3H3,(H,24,25)(H,20,21,23)/p-1/b12-8-