N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C21H25N9O4 MolecularWeight: 467.4811

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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=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N9O4/c1-13-18(23-9-8-22-14(2)31)27-20(15-6-4-3-5-7-15)28-19(13)24-10-11-25-21(32)17-16(30(33)34)12-26-29-17/h3-7,12H,8-11H2,1-2H3,(H,22,31)(H,25,32)(H,26,29)(H2,23,24,27,28)