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1,3-dimethyl-8-[3-(4-nitrophenyl)propyl]-7H-purine-2,6-dione

1,3-dimethyl-8-[3-(4-nitrophenyl)propyl]-7H-purine-2,6-dione

Systemtic Name:1,3-dimethyl-8-[3-(4-nitrophenyl)propyl]-7H-purine-2,6-dione
Openeye Name:1,3-dimethyl-8-[3-(4-nitrophenyl)propyl]-7H-purine-2,6-dione
CAS Name:1,3-dimethyl-8-[3-(4-nitrophenyl)propyl]-7H-purine-2,6-dione
IUPAC Name:1,3-dimethyl-8-[3-(4-nitrophenyl)propyl]-7H-purine-2,6-dione
Traditional Name:1,3-dimethyl-8-[3-(4-nitrophenyl)propyl]-7H-purine-2,6-quinone
Formula: C16H17N5O4
MolecularWeight: 343.33728
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=CC=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=CC=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C16H17N5O4/c1-19-14-13(15(22)20(2)16(19)23)17-12(18-14)5-3-4-10-6-8-11(9-7-10)21(24)25/h6-9H,3-5H2,1-2H3,(H,17,18)


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