4-(tert-butylamino)-5-[(tert-butylazaniumyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-(tert-butylamino)-5-[(tert-butylazaniumyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(tert-butylamino)-5-[(tert-butylammonio)methyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(tert-butylamino)-5-[(tert-butylammonio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(tert-butylamino)-5-[(tert-butylazaniumyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(tert-butylamino)-5-[(tert-butylammonio)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1=C(SC2=NC=NC(=C12)NC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC(C)(C)[NH2+]CC1=C(SC2=NC=NC(=C12)NC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C16H24N4O2S/c1-15(2,3)19-7-9-10-12(20-16(4,5)6)17-8-18-13(10)23-11(9)14(21)22/h8,19H,7H2,1-6H3,(H,21,22)(H,17,18,20)