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

Systemtic Name: 6-ethyl-5-(3-nitrophenyl)pyrimidine-2,4-diamine; (4-ethylphenyl)methanamine Openeye Name: 6-ethyl-5-(3-nitrophenyl)pyrimidine-2,4-diamine; (4-ethylphenyl)methanamine CAS Name: 6-ethyl-5-(3-nitrophenyl)pyrimidine-2,4-diamine; (4-ethylphenyl)methanamine IUPAC Name: 6-ethyl-5-(3-nitrophenyl)pyrimidine-2,4-diamine; (4-ethylphenyl)methanamine Traditional Name: [2-amino-6-ethyl-5-(3-nitrophenyl)pyrimidin-4-yl]amine; (4-ethylbenzyl)amine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O2.C9H13N/c1-2-9-10(11(13)16-12(14)15-9)7-4-3-5-8(6-7)17(18)19;1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3,(H4,13,14,15,16);3-6H,2,7,10H2,1H3