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

Systemtic Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine Openeye Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine CAS Name: 2-[(3S)-3-(diethylamino)-1-pyrrolidinyl]-9-ethyl-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine Traditional Name: diethyl-[(3S)-1-[9-ethyl-6-(3-nitroanilino)purin-2-yl]pyrrolidin-3-yl]amine Formula: C21H28N8O2 MolecularWeight: 424.49942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N8O2/c1-4-26(5-2)17-10-11-28(13-17)21-24-19(18-20(25-21)27(6-3)14-22-18)23-15-8-7-9-16(12-15)29(30)31/h7-9,12,14,17H,4-6,10-11,13H2,1-3H3,(H,23,24,25)/t17-/m0/s1