2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine Openeye Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-9-ethyl-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine Traditional Name: [2-[(3S,5S)-3,5-dimethylpiperidino]-9-ethyl-purin-6-yl]-(3-nitrophenyl)amine Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CC(CC(C4)C)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4C[C@H](C[C@@H](C4)C)C

InChI

InChI=1S/C20H25N7O2/c1-4-25-12-21-17-18(22-15-6-5-7-16(9-15)27(28)29)23-20(24-19(17)25)26-10-13(2)8-14(3)11-26/h5-7,9,12-14H,4,8,10-11H2,1-3H3,(H,22,23,24)/t13-,14-/m0/s1