N-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-nitro-phenyl]ethanamide

Systemtic Name: N-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-nitro-phenyl]ethanamide Openeye Name: N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-nitro-phenyl]acetamide CAS Name: N-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2-nitrophenyl]acetamide IUPAC Name: N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-nitrophenyl]acetamide Traditional Name: N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-nitro-phenyl]acetamide Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O3/c1-7(20)17-10-3-2-8(5-11(10)19(21)22)4-9-6-16-13(15)18-12(9)14/h2-3,5-6H,4H2,1H3,(H,17,20)(H4,14,15,16,18)