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

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-4-nitro-benzamide Openeye Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-nitro-benzamide CAS Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-nitrobenzamide IUPAC Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-nitrobenzamide Traditional Name: N-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl]-4-nitro-benzamide Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4/c1-9-12(14(22)19-15(16)18-9)3-2-8-17-13(21)10-4-6-11(7-5-10)20(23)24/h4-7H,2-3,8H2,1H3,(H,17,21)(H3,16,18,19,22)