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ethyl 4-[[2-[(3-nitrophenyl)amino]-7H-purin-6-yl]amino]benzoate

ethyl 4-[[2-[(3-nitrophenyl)amino]-7H-purin-6-yl]amino]benzoate

Systemtic Name:ethyl 4-[[2-[(3-nitrophenyl)amino]-7H-purin-6-yl]amino]benzoate
Openeye Name:ethyl 4-[[2-(3-nitroanilino)-7H-purin-6-yl]amino]benzoate
CAS Name:4-[[2-(3-nitroanilino)-7H-purin-6-yl]amino]benzoic acid ethyl ester
IUPAC Name:ethyl 4-[[2-(3-nitroanilino)-7H-purin-6-yl]amino]benzoate
Traditional Name:4-[[2-(3-nitroanilino)-7H-purin-6-yl]amino]benzoic acid ethyl ester
Formula: C20H17N7O4
MolecularWeight: 419.39348
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]


InChI

InChI=1S/C20H17N7O4/c1-2-31-19(28)12-6-8-13(9-7-12)23-18-16-17(22-11-21-16)25-20(26-18)24-14-4-3-5-15(10-14)27(29)30/h3-11H,2H2,1H3,(H3,21,22,23,24,25,26)


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