6-[(4-methylphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-methylphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one Openeye Name: 5-nitro-6-(p-tolylmethylamino)-1H-pyrimidin-4-one CAS Name: 6-[(4-methylphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-[(4-methylbenzyl)amino]-5-nitro-1H-pyrimidin-4-one Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3/c1-8-2-4-9(5-3-8)6-13-11-10(16(18)19)12(17)15-7-14-11/h2-5,7H,6H2,1H3,(H2,13,14,15,17)