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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide Formula: C21H19N9O4 MolecularWeight: 461.43346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C(=O)NCC(=O)N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C(=O)NCC(=O)N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N9O4/c22-9-13-1-3-14(4-2-13)19-16(20(32)27-12-17(23)31)11-28-21(29-19)25-8-7-24-18-6-5-15(10-26-18)30(33)34/h1-6,10-11H,7-8,12H2,(H2,23,31)(H,24,26)(H,27,32)(H,25,28,29)