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

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-N-(pyridin-2-ylmethyl)ethanamide; 2,4,6-trinitrophenol Openeye Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-N-(2-pyridylmethyl)acetamide; picric acid CAS Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-N-(2-pyridinylmethyl)acetamide; 2,4,6-trinitrophenol IUPAC Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-N-(pyridin-2-ylmethyl)acetamide; 2,4,6-trinitrophenol Traditional Name: N-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl]-N-(2-pyridylmethyl)acetamide; picric acid Formula: C22H24N8O9 MolecularWeight: 544.47416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCN(CC2=CC=CC=N2)C(=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=CC=N2)C(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2.C6H3N3O7/c1-11-14(15(23)20-16(17)19-11)7-5-9-21(12(2)22)10-13-6-3-4-8-18-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,6,8H,5,7,9-10H2,1-2H3,(H3,17,19,20,23);1-2,10H