2-dimethylaminoethyl 2-[2-[(6-azanyl-5-nitro-pyridin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate

Systemtic Name: 2-dimethylaminoethyl 2-[2-[(6-azanyl-5-nitro-pyridin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate Openeye Name: 2-dimethylaminoethyl 2-[2-[(6-amino-5-nitro-2-pyridyl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate CAS Name: 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethylamino]-4-(4-cyanophenyl)-5-pyrimidinecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 2-[2-[(6-amino-5-nitropyridin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate Traditional Name: 2-[2-[(6-amino-5-nitro-2-pyridyl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylic acid 2-dimethylaminoethyl ester Formula: C23H25N9O4 MolecularWeight: 491.5025

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC(=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CN(C)CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC(=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C23H25N9O4/c1-31(2)11-12-36-22(33)17-14-28-23(30-20(17)16-5-3-15(13-24)4-6-16)27-10-9-26-19-8-7-18(32(34)35)21(25)29-19/h3-8,14H,9-12H2,1-2H3,(H3,25,26,29)(H,27,28,30)