4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C15H15N7O3 MolecularWeight: 341.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C15H15N7O3/c1-9-11(19-14-12(22(24)25)13(16)17-8-18-14)15(23)21(20(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,16,17,18,19)