4-(4-cyanophenyl)-N-(2-dimethylaminoethyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide

Systemtic Name: 4-(4-cyanophenyl)-N-(2-dimethylaminoethyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Openeye Name: 4-(4-cyanophenyl)-N-(2-dimethylaminoethyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide CAS Name: 4-(4-cyanophenyl)-N-(2-dimethylaminoethyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxamide IUPAC Name: 4-(4-cyanophenyl)-N-(2-dimethylaminoethyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Traditional Name: 4-(4-cyanophenyl)-N-(2-dimethylaminoethyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide Formula: C23H25N9O3 MolecularWeight: 475.5031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N9O3/c1-31(2)12-11-26-22(33)19-15-29-23(30-21(19)17-5-3-16(13-24)4-6-17)27-10-9-25-20-8-7-18(14-28-20)32(34)35/h3-8,14-15H,9-12H2,1-2H3,(H,25,28)(H,26,33)(H,27,29,30)