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

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-4-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Openeye Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-4-methyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Traditional Name: N-(2-amino-1-benzyl-2-keto-ethyl)-4-methyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide Formula: C22H24N8O4 MolecularWeight: 464.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N8O4/c1-14-17(21(32)29-18(20(23)31)11-15-5-3-2-4-6-15)13-27-22(28-14)25-10-9-24-19-8-7-16(12-26-19)30(33)34/h2-8,12-13,18H,9-11H2,1H3,(H2,23,31)(H,24,26)(H,29,32)(H,25,27,28)