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

Systemtic Name: 2-methoxyethyl 5-methyl-4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C22H28N5O3S+ MolecularWeight: 442.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C(=O)OCCOC

InChI

InChI=1S/C22H27N5O3S/c1-15-18-20(23-14-24-21(18)31-19(15)22(28)30-13-12-29-3)25-16-4-6-17(7-5-16)27-10-8-26(2)9-11-27/h4-7,14H,8-13H2,1-3H3,(H,23,24,25)/p+1