9-ethyl-2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-nitrophenyl)purin-6-amine

Systemtic Name: 9-ethyl-2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-nitrophenyl)purin-6-amine Openeye Name: 9-ethyl-2-[(2S)-2-ethyl-1-piperidyl]-N-(3-nitrophenyl)purin-6-amine CAS Name: 9-ethyl-2-[(2S)-2-ethyl-1-piperidinyl]-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 9-ethyl-2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-nitrophenyl)purin-6-amine Traditional Name: [9-ethyl-2-[(2S)-2-ethylpiperidino]purin-6-yl]-(3-nitrophenyl)amine Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC3=C(C(=N2)NC4=CC(=CC=C4)[N+](=O)[O-])N=CN3CC

Isomeric SMILES

CC[C@H]1CCCCN1C2=NC3=C(C(=N2)NC4=CC(=CC=C4)[N+](=O)[O-])N=CN3CC

InChI

InChI=1S/C20H25N7O2/c1-3-15-9-5-6-11-26(15)20-23-18(17-19(24-20)25(4-2)13-21-17)22-14-8-7-10-16(12-14)27(28)29/h7-8,10,12-13,15H,3-6,9,11H2,1-2H3,(H,22,23,24)/t15-/m0/s1