[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl-(pyridin-4-ylmethyl)amino] ethanoate; 2,4,6-trinitrophenol

Systemtic Name: [3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl-(pyridin-4-ylmethyl)amino] ethanoate; 2,4,6-trinitrophenol Openeye Name: [3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(4-pyridylmethyl)amino] acetate; picric acid CAS Name: acetic acid [3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(pyridin-4-ylmethyl)amino] ester; 2,4,6-trinitrophenol IUPAC Name: [3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(pyridin-4-ylmethyl)amino] acetate; 2,4,6-trinitrophenol Traditional Name: acetic acid [3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl-(4-pyridylmethyl)amino] ester; picric acid Formula: C22H24N8O10 MolecularWeight: 560.47356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCN(CC2=CC=NC=C2)OC(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCN(CC2=CC=NC=C2)OC(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3.C6H3N3O7/c1-11-14(15(23)20-16(17)19-11)4-3-9-21(24-12(2)22)10-13-5-7-18-8-6-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-8H,3-4,9-10H2,1-2H3,(H3,17,19,20,23);1-2,10H