5-methyl-4-oxidanylidene-2-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-2-[(E)-2-[4-(1-piperidyl)phenyl]vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-[(E)-2-[4-(1-piperidinyl)phenyl]ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-2-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-[(E)-2-(4-piperidinophenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 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=C(C=C3)N4CCCCC4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=CC=C(C=C3)N4CCCCC4)C(=O)O

InChI

InChI=1S/C21H21N3O3S/c1-13-17-19(25)22-16(23-20(17)28-18(13)21(26)27)10-7-14-5-8-15(9-6-14)24-11-3-2-4-12-24/h5-10H,2-4,11-12H2,1H3,(H,26,27)(H,22,23,25)/b10-7+