N2,N4-bis(3-methylphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(3-methylphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(m-tolyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(3-methylphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(3-methylphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(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=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC(=C3)C

InChI

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