N-(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide

Systemtic Name: N-(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Openeye Name: N-[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide CAS Name: N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxamide IUPAC Name: N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Traditional Name: N-(2-amino-2-keto-1-methylol-ethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide Formula: C22H21N9O5 MolecularWeight: 491.45944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N9O5/c23-9-13-1-3-14(4-2-13)19-16(21(34)29-17(12-32)20(24)33)11-28-22(30-19)26-8-7-25-18-6-5-15(10-27-18)31(35)36/h1-6,10-11,17,32H,7-8,12H2,(H2,24,33)(H,25,27)(H,29,34)(H,26,28,30)