4-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid; 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid; 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-methyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid; 4-[2-[2-(2-pyridylamino)ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 4-methyl-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid; 4-[2-[2-(2-pyridinylamino)ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid; 4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 4-methyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid; 4-[2-[2-(2-pyridylamino)ethylamino]pyrimidin-4-yl]benzonitrile Formula: C31H30N12O4 MolecularWeight: 634.6479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)O)NCCNC2=NC=C(C=C2)[N+](=O)[O-].C1=CC=NC(=C1)NCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NC(=NC=C1C(=O)O)NCCNC2=NC=C(C=C2)[N+](=O)[O-].C1=CC=NC(=C1)NCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N6.C13H14N6O4/c19-13-14-4-6-15(7-5-14)16-8-10-22-18(24-16)23-12-11-21-17-3-1-2-9-20-17;1-8-10(12(20)21)7-17-13(18-8)15-5-4-14-11-3-2-9(6-16-11)19(22)23/h1-10H,11-12H2,(H,20,21)(H,22,23,24);2-3,6-7H,4-5H2,1H3,(H,14,16)(H,20,21)(H,15,17,18)