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

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-N-butyl-benzamide; 2,4,6-trinitrophenol Openeye Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-N-butyl-benzamide; picric acid CAS Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-N-butylbenzamide; 2,4,6-trinitrophenol IUPAC Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-N-butylbenzamide; 2,4,6-trinitrophenol Traditional Name: N-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl]-N-butyl-benzamide; picric acid Formula: C25H29N7O9 MolecularWeight: 571.53926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC1=C(NC(=NC1=O)N)C)C(=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC1=C(NC(=NC1=O)N)C)C(=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O2.C6H3N3O7/c1-3-4-12-23(18(25)15-9-6-5-7-10-15)13-8-11-16-14(2)21-19(20)22-17(16)24;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H3,20,21,22,24);1-2,10H