ethyl 2-[2-[(4-azanyl-5-nitro-pyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[(4-azanyl-5-nitro-pyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[(4-amino-5-nitro-pyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate CAS Name: 2-[2-[(4-amino-5-nitro-2-pyrimidinyl)amino]ethylamino]-4-(4-cyanophenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-amino-5-nitropyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate Traditional Name: 2-[2-[(4-amino-5-nitro-pyrimidin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N9O4 MolecularWeight: 449.42276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C(=N3)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C(=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N9O4/c1-2-33-18(30)14-10-25-19(27-16(14)13-5-3-12(9-21)4-6-13)23-7-8-24-20-26-11-15(29(31)32)17(22)28-20/h3-6,10-11H,2,7-8H2,1H3,(H,23,25,27)(H3,22,24,26,28)