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

Systemtic Name: methyl 5-methyl-4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(4-methyl-1-piperazinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-methylpiperazino)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H23N5O2S MolecularWeight: 397.49392

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-13-16-18(21-12-22-19(16)28-17(13)20(26)27-3)23-14-4-6-15(7-5-14)25-10-8-24(2)9-11-25/h4-7,12H,8-11H2,1-3H3,(H,21,22,23)