N-(1-phenylpentan-2-yl)pyrimidin-2-amine; 2,4,6-trinitrophenol

Systemtic Name: N-(1-phenylpentan-2-yl)pyrimidin-2-amine; 2,4,6-trinitrophenol Openeye Name: N-(1-benzylbutyl)pyrimidin-2-amine; picric acid CAS Name: N-(1-phenylpentan-2-yl)-2-pyrimidinamine; 2,4,6-trinitrophenol IUPAC Name: N-(1-phenylpentan-2-yl)pyrimidin-2-amine; 2,4,6-trinitrophenol Traditional Name: 1-benzylbutyl(2-pyrimidyl)amine; picric acid Formula: C21H22N6O7 MolecularWeight: 470.43538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)NC2=NC=CC=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(CC1=CC=CC=C1)NC2=NC=CC=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H19N3.C6H3N3O7/c1-2-7-14(12-13-8-4-3-5-9-13)18-15-16-10-6-11-17-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,8-11,14H,2,7,12H2,1H3,(H,16,17,18);1-2,10H