4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid Openeye Name: 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid CAS Name: 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid Traditional Name: 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid Formula: C19H15N7O4 MolecularWeight: 405.3669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C(=O)O)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C(=O)O)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O4/c20-9-12-1-3-13(4-2-12)17-15(18(27)28)11-24-19(25-17)22-8-7-21-16-6-5-14(10-23-16)26(29)30/h1-6,10-11H,7-8H2,(H,21,23)(H,27,28)(H,22,24,25)