N2-(2-azanylethyl)-N6-(3-fluorophenyl)-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(2-azanylethyl)-N6-(3-fluorophenyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(2-aminoethyl)-N6-(3-fluorophenyl)-9-isopropyl-purine-2,6-diamine CAS Name: N2-(2-aminoethyl)-N6-(3-fluorophenyl)-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminoethyl)-6-N-(3-fluorophenyl)-9-propan-2-ylpurine-2,6-diamine Traditional Name: 2-aminoethyl-[6-(3-fluoroanilino)-9-isopropyl-purin-2-yl]amine Formula: C16H20FN7 MolecularWeight: 329.375303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)F)NCCN

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)F)NCCN

InChI

InChI=1S/C16H20FN7/c1-10(2)24-9-20-13-14(21-12-5-3-4-11(17)8-12)22-16(19-7-6-18)23-15(13)24/h3-5,8-10H,6-7,18H2,1-2H3,(H2,19,21,22,23)