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9-hepta-1,6-dien-4-yl-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine

9-hepta-1,6-dien-4-yl-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine

Systemtic Name:9-hepta-1,6-dien-4-yl-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine
Openeye Name:9-(1-allylbut-3-enyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine
CAS Name:9-hepta-1,6-dien-4-yl-6-[2-(4-nitrophenyl)ethoxy]-2-purinamine
IUPAC Name:9-hepta-1,6-dien-4-yl-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine
Traditional Name:[9-(1-allylbut-3-enyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]amine
Formula: C20H22N6O3
MolecularWeight: 394.42708
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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)N1C=NC2=C1N=C(N=C2OCCC3=CC=C(C=C3)[N+](=O)[O-])N


Isomeric SMILES

C=CCC(CC=C)N1C=NC2=C1N=C(N=C2OCCC3=CC=C(C=C3)[N+](=O)[O-])N


InChI

InChI=1S/C20H22N6O3/c1-3-5-15(6-4-2)25-13-22-17-18(25)23-20(21)24-19(17)29-12-11-14-7-9-16(10-8-14)26(27)28/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H2,21,23,24)


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