9-ethyl-N6-(3-nitrophenyl)-N2-[[(2R)-oxolan-2-yl]methyl]purine-2,6-diamine

Systemtic Name: 9-ethyl-N6-(3-nitrophenyl)-N2-[[(2R)-oxolan-2-yl]methyl]purine-2,6-diamine Openeye Name: 9-ethyl-N6-(3-nitrophenyl)-N2-[[(2R)-tetrahydrofuran-2-yl]methyl]purine-2,6-diamine CAS Name: 9-ethyl-N6-(3-nitrophenyl)-N2-[[(2R)-2-oxolanyl]methyl]purine-2,6-diamine IUPAC Name: 9-ethyl-6-N-(3-nitrophenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]purine-2,6-diamine Traditional Name: [9-ethyl-6-(3-nitroanilino)purin-2-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine 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-])NCC4CCCO4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NC[C@H]4CCCO4

InChI

InChI=1S/C18H21N7O3/c1-2-24-11-20-15-16(21-12-5-3-6-13(9-12)25(26)27)22-18(23-17(15)24)19-10-14-7-4-8-28-14/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3,(H2,19,21,22,23)/t14-/m1/s1