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

Systemtic Name: 2-hydroxyethyl 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: 2-hydroxyethyl 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 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 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 2-hydroxyethyl ester Formula: C21H19N7O5 MolecularWeight: 449.41946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N7O5/c22-11-14-1-3-15(4-2-14)19-17(20(30)33-10-9-29)13-26-21(27-19)24-8-7-23-18-6-5-16(12-25-18)28(31)32/h1-6,12-13,29H,7-10H2,(H,23,25)(H,24,26,27)