N4-cyclopropyl-5-nitro-N2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-5-nitro-N2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: N2-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-N4-cyclopropyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-5-nitro-N2-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-N-cyclopropyl-5-nitropyrimidine-2,4-diamine Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amine Formula: C24H23N7O2 MolecularWeight: 441.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N7O2/c32-31(33)21-14-26-24(28-23(21)27-20-11-12-20)25-13-19-16-30(15-17-7-3-1-4-8-17)29-22(19)18-9-5-2-6-10-18/h1-10,14,16,20H,11-13,15H2,(H2,25,26,27,28)