ethyl 1-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)N

InChI

InChI=1S/C17H24N4O2S/c1-4-23-17(22)12-5-7-21(8-6-12)9-13-19-15(18)14-10(2)11(3)24-16(14)20-13/h12H,4-9H2,1-3H3,(H2,18,19,20)/p+1