N2-(2-azanylethyl)-9-ethyl-N6-(3-fluorophenyl)purine-2,6-diamine hydrochloride

Systemtic Name: N2-(2-azanylethyl)-9-ethyl-N6-(3-fluorophenyl)purine-2,6-diamine hydrochloride Openeye Name: N2-(2-aminoethyl)-9-ethyl-N6-(3-fluorophenyl)purine-2,6-diamine hydrochloride CAS Name: N2-(2-aminoethyl)-9-ethyl-N6-(3-fluorophenyl)purine-2,6-diamine hydrochloride IUPAC Name: 2-N-(2-aminoethyl)-9-ethyl-6-N-(3-fluorophenyl)purine-2,6-diamine hydrochloride Traditional Name: 2-aminoethyl-[9-ethyl-6-(3-fluoroanilino)purin-2-yl]amine hydrochloride Formula: C15H19ClFN7 MolecularWeight: 351.809663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)F)NCCN.Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)F)NCCN.Cl

InChI

InChI=1S/C15H18FN7.ClH/c1-2-23-9-19-12-13(20-11-5-3-4-10(16)8-11)21-15(18-7-6-17)22-14(12)23;/h3-5,8-9H,2,6-7,17H2,1H3,(H2,18,20,21,22);1H