N2-(2-azanylethyl)-N6-(4-fluorophenyl)-9-propan-2-yl-purine-2,6-diamine hydrochloride

Systemtic Name: N2-(2-azanylethyl)-N6-(4-fluorophenyl)-9-propan-2-yl-purine-2,6-diamine hydrochloride Openeye Name: N2-(2-aminoethyl)-N6-(4-fluorophenyl)-9-isopropyl-purine-2,6-diamine hydrochloride CAS Name: N2-(2-aminoethyl)-N6-(4-fluorophenyl)-9-propan-2-ylpurine-2,6-diamine hydrochloride IUPAC Name: 2-N-(2-aminoethyl)-6-N-(4-fluorophenyl)-9-propan-2-ylpurine-2,6-diamine hydrochloride Traditional Name: 2-aminoethyl-[6-(4-fluoroanilino)-9-isopropyl-purin-2-yl]amine hydrochloride Formula: C16H21ClFN7 MolecularWeight: 365.836243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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