5-methyl-4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-[4-(4-methyl-1-piperazinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-[4-(4-methylpiperazino)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCN(CC4)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCN(CC4)C)C(=O)O

InChI

InChI=1S/C19H21N5O2S/c1-12-15-17(20-11-21-18(15)27-16(12)19(25)26)22-13-3-5-14(6-4-13)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,25,26)(H,20,21,22)