[(2S)-1-[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]pyrrolidin-2-yl]methanol

Systemtic Name: [(2S)-1-[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]pyrrolidin-2-yl]methanol Openeye Name: [(2S)-1-[9-ethyl-6-(3-nitroanilino)purin-2-yl]pyrrolidin-2-yl]methanol CAS Name: [(2S)-1-[9-ethyl-6-(3-nitroanilino)-2-purinyl]-2-pyrrolidinyl]methanol IUPAC Name: [(2S)-1-[9-ethyl-6-(3-nitroanilino)purin-2-yl]pyrrolidin-2-yl]methanol Traditional Name: [(2S)-1-[9-ethyl-6-(3-nitroanilino)purin-2-yl]pyrrolidin-2-yl]methanol 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-])N4CCCC4CO

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC[C@H]4CO

InChI

InChI=1S/C18H21N7O3/c1-2-23-11-19-15-16(20-12-5-3-6-13(9-12)25(27)28)21-18(22-17(15)23)24-8-4-7-14(24)10-26/h3,5-6,9,11,14,26H,2,4,7-8,10H2,1H3,(H,20,21,22)/t14-/m0/s1