ethanesulfonate; 4-methyl-6-(3-nitrophenyl)pyrimidine-2,5-diamine; (4-methylphenyl)methanamine

Systemtic Name: ethanesulfonate; 4-methyl-6-(3-nitrophenyl)pyrimidine-2,5-diamine; (4-methylphenyl)methanamine Openeye Name: ethanesulfonate; 4-methyl-6-(3-nitrophenyl)pyrimidine-2,5-diamine; p-tolylmethanamine CAS Name: ethanesulfonate; 4-methyl-6-(3-nitrophenyl)pyrimidine-2,5-diamine; (4-methylphenyl)methanamine IUPAC Name: ethanesulfonate; 4-methyl-6-(3-nitrophenyl)pyrimidine-2,5-diamine; (4-methylphenyl)methanamine Traditional Name: [2-amino-4-methyl-6-(3-nitrophenyl)pyrimidin-5-yl]amine; (4-methylbenzyl)amine; esylate Formula: C21H27N6O5S- MolecularWeight: 475.54128

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CC1=CC=C(C=C1)CN.CC1=NC(=NC(=C1N)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CCS(=O)(=O)[O-].CC1=CC=C(C=C1)CN.CC1=NC(=NC(=C1N)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C11H11N5O2.C8H11N.C2H6O3S/c1-6-9(12)10(15-11(13)14-6)7-3-2-4-8(5-7)16(17)18;1-7-2-4-8(6-9)5-3-7;1-2-6(3,4)5/h2-5H,12H2,1H3,(H2,13,14,15);2-5H,6,9H2,1H3;2H2,1H3,(H,3,4,5)/p-1