5-methyl-4-[[4-(4-methylpiperidin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-[[4-(4-methylpiperidin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-[4-(4-methyl-1-piperidyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(4-methyl-1-piperidinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-[4-(4-methylpiperidin-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-methylpiperidino)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H21N4O2S- MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=C(SC4=NC=N3)C(=O)[O-])C

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=C(SC4=NC=N3)C(=O)[O-])C

InChI

InChI=1S/C20H22N4O2S/c1-12-7-9-24(10-8-12)15-5-3-14(4-6-15)23-18-16-13(2)17(20(25)26)27-19(16)22-11-21-18/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)(H,21,22,23)/p-1