2-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]ethanamide Openeye Name: 2-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-5-yl]acetamide CAS Name: 2-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinyl]acetamide IUPAC Name: 2-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]acetamide Traditional Name: 2-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-5-yl]acetamide Formula: C20H18N8O3 MolecularWeight: 418.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2CC(=O)N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2CC(=O)N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N8O3/c21-10-13-1-3-14(4-2-13)19-15(9-17(22)29)11-26-20(27-19)24-8-7-23-18-6-5-16(12-25-18)28(30)31/h1-6,11-12H,7-9H2,(H2,22,29)(H,23,25)(H,24,26,27)