N-[7-[(4-nitrophenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]pent-4-enamide

Systemtic Name: N-[7-[(4-nitrophenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]pent-4-enamide Openeye Name: N-[7-[(4-nitrophenyl)methyl]-6-oxo-3H-purin-2-yl]pent-4-enamide CAS Name: N-[7-[(4-nitrophenyl)methyl]-6-oxo-3H-purin-2-yl]-4-pentenamide IUPAC Name: N-[7-[(4-nitrophenyl)methyl]-6-oxo-3H-purin-2-yl]pent-4-enamide Traditional Name: N-[6-keto-7-(4-nitrobenzyl)-3H-purin-2-yl]pent-4-enamide Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)NC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCCC(=O)NC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4/c1-2-3-4-13(24)19-17-20-15-14(16(25)21-17)22(10-18-15)9-11-5-7-12(8-6-11)23(26)27/h2,5-8,10H,1,3-4,9H2,(H2,19,20,21,24,25)