5-nitro-6-[(4-propan-2-ylphenyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 5-nitro-6-[(4-propan-2-ylphenyl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(4-isopropylanilino)-5-nitro-1H-pyrimidin-4-one CAS Name: 5-nitro-6-(4-propan-2-ylanilino)-1H-pyrimidin-4-one IUPAC Name: 5-nitro-6-(4-propan-2-ylanilino)-1H-pyrimidin-4-one Traditional Name: 6-cumidino-5-nitro-1H-pyrimidin-4-one Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3/c1-8(2)9-3-5-10(6-4-9)16-12-11(17(19)20)13(18)15-7-14-12/h3-8H,1-2H3,(H2,14,15,16,18)