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

Systemtic Name: N-butyl-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Openeye Name: N-butyl-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide CAS Name: N-butyl-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxamide IUPAC Name: N-butyl-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Traditional Name: N-butyl-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide Formula: C23H24N8O3 MolecularWeight: 460.48846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N8O3/c1-2-3-10-26-22(32)19-15-29-23(30-21(19)17-6-4-16(13-24)5-7-17)27-12-11-25-20-9-8-18(14-28-20)31(33)34/h4-9,14-15H,2-3,10-12H2,1H3,(H,25,28)(H,26,32)(H,27,29,30)