2-azanyl-6-methyl-5-[3-(pyridin-3-ylmethylamino)propyl]-1H-pyrimidin-4-one; 2,4,6-trinitrophenol

Systemtic Name: 2-azanyl-6-methyl-5-[3-(pyridin-3-ylmethylamino)propyl]-1H-pyrimidin-4-one; 2,4,6-trinitrophenol Openeye Name: 2-amino-6-methyl-5-[3-(3-pyridylmethylamino)propyl]-1H-pyrimidin-4-one; picric acid CAS Name: 2-amino-6-methyl-5-[3-(3-pyridinylmethylamino)propyl]-1H-pyrimidin-4-one; 2,4,6-trinitrophenol IUPAC Name: 2-amino-6-methyl-5-[3-(pyridin-3-ylmethylamino)propyl]-1H-pyrimidin-4-one; 2,4,6-trinitrophenol Traditional Name: 2-amino-6-methyl-5-[3-(3-pyridylmethylamino)propyl]-1H-pyrimidin-4-one; picric acid Formula: C20H22N8O8 MolecularWeight: 502.43748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNCC2=CN=CC=C2.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)CCCNCC2=CN=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O.C6H3N3O7/c1-10-12(13(20)19-14(15)18-10)5-3-7-17-9-11-4-2-6-16-8-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2,4,6,8,17H,3,5,7,9H2,1H3,(H3,15,18,19,20);1-2,10H