N4,N6-bis(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(m-toluidino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c1-12-5-3-7-14(9-12)21-17-16(23(24)25)18(20-11-19-17)22-15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H2,19,20,21,22)