(phenylmethyl) 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: benzyl 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid benzyl ester Formula: C26H21N7O4 MolecularWeight: 495.48944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN=C(N=C2C3=CC=C(C=C3)C#N)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN=C(N=C2C3=CC=C(C=C3)C#N)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21N7O4/c27-14-18-6-8-20(9-7-18)24-22(25(34)37-17-19-4-2-1-3-5-19)16-31-26(32-24)29-13-12-28-23-11-10-21(15-30-23)33(35)36/h1-11,15-16H,12-13,17H2,(H,28,30)(H,29,31,32)