5-nitro-N2-phenethyl-N4-phenyl-pyrimidine-2,4,6-triamine

Systemtic Name: 5-nitro-N2-phenethyl-N4-phenyl-pyrimidine-2,4,6-triamine Openeye Name: 5-nitro-N2-phenethyl-N4-phenyl-pyrimidine-2,4,6-triamine CAS Name: 5-nitro-N2-phenethyl-N4-phenylpyrimidine-2,4,6-triamine IUPAC Name: 5-nitro-2-N-phenethyl-4-N-phenylpyrimidine-2,4,6-triamine Traditional Name: (4-amino-6-anilino-5-nitro-pyrimidin-2-yl)-phenethyl-amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H18N6O2/c19-16-15(24(25)26)17(21-14-9-5-2-6-10-14)23-18(22-16)20-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H4,19,20,21,22,23)