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

Systemtic Name: ethanesulfonate; 6-ethyl-5-(3-nitrophenyl)pyrimidine-2,4-diamine; (4-methylphenyl)methanamine Openeye Name: ethanesulfonate; 6-ethyl-5-(3-nitrophenyl)pyrimidine-2,4-diamine; p-tolylmethanamine CAS Name: ethanesulfonate; 6-ethyl-5-(3-nitrophenyl)pyrimidine-2,4-diamine; (4-methylphenyl)methanamine IUPAC Name: ethanesulfonate; 6-ethyl-5-(3-nitrophenyl)pyrimidine-2,4-diamine; (4-methylphenyl)methanamine Traditional Name: [2-amino-6-ethyl-5-(3-nitrophenyl)pyrimidin-4-yl]amine; (4-methylbenzyl)amine; esylate Formula: C22H29N6O5S- MolecularWeight: 489.56786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=CC=C2)[N+](=O)[O-].CCS(=O)(=O)[O-].CC1=CC=C(C=C1)CN

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=CC=C2)[N+](=O)[O-].CCS(=O)(=O)[O-].CC1=CC=C(C=C1)CN

InChI

InChI=1S/C12H13N5O2.C8H11N.C2H6O3S/c1-2-9-10(11(13)16-12(14)15-9)7-4-3-5-8(6-7)17(18)19;1-7-2-4-8(6-9)5-3-7;1-2-6(3,4)5/h3-6H,2H2,1H3,(H4,13,14,15,16);2-5H,6,9H2,1H3;2H2,1H3,(H,3,4,5)/p-1