6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine CAS Name: 6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-methyl-5-(4-nitrobenzyl)pyrimidin-4-yl]amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2/c1-7-10(11(13)16-12(14)15-7)6-8-2-4-9(5-3-8)17(18)19/h2-5H,6H2,1H3,(H4,13,14,15,16)