N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(4-isopropylphenyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-ethyl-(m-tolyl)amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-5-26(19-8-6-7-16(4)13-19)22-20(27(28)29)21(23-14-24-22)25-18-11-9-17(10-12-18)15(2)3/h6-15H,5H2,1-4H3,(H,23,24,25)