4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexanecarboxylic acid CAS Name: 4-[6-nitro-4-(phenethylamino)-2-thieno[2,3-d]pyrimidinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[6-nitro-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexanecarboxylic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CCC1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N4O4S/c26-21(27)15-8-6-14(7-9-15)18-23-19(22-11-10-13-4-2-1-3-5-13)16-12-17(25(28)29)30-20(16)24-18/h1-5,12,14-15H,6-11H2,(H,26,27)(H,22,23,24)