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

Systemtic Name: propan-2-yl 4-(1,4-diazepan-4-ium-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC[NH2+]CC3)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC[NH2+]CC3)C)C(=O)OC(C)C

InChI

InChI=1S/C17H24N4O2S/c1-10(2)23-17(22)14-11(3)13-15(19-12(4)20-16(13)24-14)21-8-5-6-18-7-9-21/h10,18H,5-9H2,1-4H3/p+1