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

Systemtic Name: 9-ethyl-2-[(3S)-3-methylpiperidin-1-yl]-N-(3-nitrophenyl)purin-6-amine Openeye Name: 9-ethyl-2-[(3S)-3-methyl-1-piperidyl]-N-(3-nitrophenyl)purin-6-amine CAS Name: 9-ethyl-2-[(3S)-3-methyl-1-piperidinyl]-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 9-ethyl-2-[(3S)-3-methylpiperidin-1-yl]-N-(3-nitrophenyl)purin-6-amine Traditional Name: [9-ethyl-2-[(3S)-3-methylpiperidino]purin-6-yl]-(3-nitrophenyl)amine Formula: C19H23N7O2 MolecularWeight: 381.43162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCCC(C4)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC[C@@H](C4)C

InChI

InChI=1S/C19H23N7O2/c1-3-24-12-20-16-17(21-14-7-4-8-15(10-14)26(27)28)22-19(23-18(16)24)25-9-5-6-13(2)11-25/h4,7-8,10,12-13H,3,5-6,9,11H2,1-2H3,(H,21,22,23)/t13-/m0/s1