ethyl 4-[(3S)-3-aminocarbonylpiperazin-4-ium-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-aminocarbonylpiperazin-4-ium-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(3S)-3-carbamoylpiperazin-4-ium-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3S)-3-carbamoyl-1-piperazin-4-iumyl]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-carbamoylpiperazin-4-ium-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3S)-3-carbamoylpiperazin-4-ium-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H22N5O3S+ MolecularWeight: 364.44258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CC[NH2+]C(C3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CC[NH2+][C@@H](C3)C(=O)N)C

InChI

InChI=1S/C16H21N5O3S/c1-4-24-16(23)12-8(2)11-14(19-9(3)20-15(11)25-12)21-6-5-18-10(7-21)13(17)22/h10,18H,4-7H2,1-3H3,(H2,17,22)/p+1/t10-/m0/s1