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

Systemtic Name: ethyl 4-(1,4-diazepan-4-ium-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-4-ium-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-4-ium-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC[NH2+]CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC[NH2+]CC3)C

InChI

InChI=1S/C16H22N4O2S/c1-4-22-16(21)13-10(2)12-14(18-11(3)19-15(12)23-13)20-8-5-6-17-7-9-20/h17H,4-9H2,1-3H3/p+1