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methyl-[7-(4-nitrophenyl)purin-6-yl]carbamic acid

methyl-[7-(4-nitrophenyl)purin-6-yl]carbamic acid

Systemtic Name:methyl-[7-(4-nitrophenyl)purin-6-yl]carbamic acid
Openeye Name:methyl-[7-(4-nitrophenyl)purin-6-yl]carbamic acid
CAS Name:methyl-[7-(4-nitrophenyl)-6-purinyl]carbamic acid
IUPAC Name:methyl-[7-(4-nitrophenyl)purin-6-yl]carbamic acid
Traditional Name:methyl-[7-(4-nitrophenyl)purin-6-yl]carbamic acid
Formula: C13H10N6O4
MolecularWeight: 314.2563
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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC=NC2=C1N(C=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O


Isomeric SMILES

CN(C1=NC=NC2=C1N(C=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C13H10N6O4/c1-17(13(20)21)12-10-11(14-6-15-12)16-7-18(10)8-2-4-9(5-3-8)19(22)23/h2-7H,1H3,(H,20,21)


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