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1-[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]piperidin-4-ol

1-[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]piperidin-4-ol

Systemtic Name:1-[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]piperidin-4-ol
Openeye Name:1-[9-ethyl-6-(3-nitroanilino)purin-2-yl]piperidin-4-ol
CAS Name:1-[9-ethyl-6-(3-nitroanilino)-2-purinyl]-4-piperidinol
IUPAC Name:1-[9-ethyl-6-(3-nitroanilino)purin-2-yl]piperidin-4-ol
Traditional Name:1-[9-ethyl-6-(3-nitroanilino)purin-2-yl]piperidin-4-ol
Formula: C18H21N7O3
MolecularWeight: 383.40444
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC(CC4)O


Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC(CC4)O


InChI

InChI=1S/C18H21N7O3/c1-2-23-11-19-15-16(20-12-4-3-5-13(10-12)25(27)28)21-18(22-17(15)23)24-8-6-14(26)7-9-24/h3-5,10-11,14,26H,2,6-9H2,1H3,(H,20,21,22)


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