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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-10(2)22-16(21)13-11(3)12-14(18-9-19-15(12)23-13)20-7-4-5-17-6-8-20/h9-10,17H,4-8H2,1-3H3/p+1