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

Systemtic Name: 4-(2-methoxyphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methoxyphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid CAS Name: 4-(2-methoxyphenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methoxyphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid Traditional Name: 4-(2-methoxyphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid Formula: C19H18N6O5 MolecularWeight: 410.38342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O5/c1-30-15-5-3-2-4-13(15)17-14(18(26)27)11-23-19(24-17)21-9-8-20-16-7-6-12(10-22-16)25(28)29/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H,26,27)(H,21,23,24)