N4-cyclopropyl-N2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O2/c1-11-16(12(2)24(23-11)14-6-4-3-5-7-14)21-18-19-10-15(25(26)27)17(22-18)20-13-8-9-13/h3-7,10,13H,8-9H2,1-2H3,(H2,19,20,21,22)