4,4,6-trimethyl-1H-pyrimidin-2-amine; 2,4,6-trinitrophenol

Systemtic Name: 4,4,6-trimethyl-1H-pyrimidin-2-amine; 2,4,6-trinitrophenol Openeye Name: picric acid; 4,4,6-trimethyl-1H-pyrimidin-2-amine CAS Name: 4,4,6-trimethyl-1H-pyrimidin-2-amine; 2,4,6-trinitrophenol IUPAC Name: 4,4,6-trimethyl-1H-pyrimidin-2-amine; 2,4,6-trinitrophenol Traditional Name: picric acid; (4,4,6-trimethyl-1H-pyrimidin-2-yl)amine Formula: C13H16N6O7 MolecularWeight: 368.30214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N=C(N1)N)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(N=C(N1)N)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H13N3.C6H3N3O7/c1-5-4-7(2,3)10-6(8)9-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4H,1-3H3,(H3,8,9,10);1-2,10H