4-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-6-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-phenyl-pyrimidine-5-carboxylic acid Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)O)C2=CC=CC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)O)C2=CC=CC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c1-12-16(18(26)27)17(13-5-3-2-4-6-13)24-19(23-12)21-10-9-20-15-8-7-14(11-22-15)25(28)29/h2-8,11H,9-10H2,1H3,(H,20,22)(H,26,27)(H,21,23,24)