N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-nitro-thiophene-3-carboxamide Formula: C22H25N7O4S MolecularWeight: 483.5434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O4S/c1-14-19(24-9-8-23-15(2)30)27-21(16-6-4-3-5-7-16)28-20(14)25-10-11-26-22(31)17-12-18(29(32)33)34-13-17/h3-7,12-13H,8-11H2,1-2H3,(H,23,30)(H,26,31)(H2,24,25,27,28)