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

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C(=O)O)C

InChI

InChI=1S/C19H19ClN4O2S/c1-11-3-4-13(20)9-14(11)23-5-7-24(8-6-23)17-15-12(2)16(19(25)26)27-18(15)22-10-21-17/h3-4,9-10H,5-8H2,1-2H3,(H,25,26)