ethyl (3S)-1-[5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-methyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]nipecotic acid ethyl ester Formula: C21H30N5O3S+ MolecularWeight: 432.5596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CC[NH+](CC4)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C21H29N5O3S/c1-4-29-21(28)15-6-5-7-26(12-15)20(27)17-14(2)16-18(22-13-23-19(16)30-17)25-10-8-24(3)9-11-25/h13,15H,4-12H2,1-3H3/p+1/t15-/m0/s1