1-(1H-imidazol-2-yl)-4-[(9-propan-2-ylpurin-8-yl)amino]butan-1-one trihydrochloride

Systemtic Name: 1-(1H-imidazol-2-yl)-4-[(9-propan-2-ylpurin-8-yl)amino]butan-1-one trihydrochloride Openeye Name: 1-(1H-imidazol-2-yl)-4-[(9-isopropylpurin-8-yl)amino]butan-1-one trihydrochloride CAS Name: 1-(1H-imidazol-2-yl)-4-[(9-propan-2-yl-8-purinyl)amino]-1-butanone trihydrochloride IUPAC Name: 1-(1H-imidazol-2-yl)-4-[(9-propan-2-ylpurin-8-yl)amino]butan-1-one trihydrochloride Traditional Name: 1-(1H-imidazol-2-yl)-4-[(9-isopropylpurin-8-yl)amino]butan-1-one trihydrochloride Formula: C15H22Cl3N7O MolecularWeight: 422.74048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=NC=C2N=C1NCCCC(=O)C3=NC=CN3.Cl.Cl.Cl

Isomeric SMILES

CC(C)N1C2=NC=NC=C2N=C1NCCCC(=O)C3=NC=CN3.Cl.Cl.Cl

InChI

InChI=1S/C15H19N7O.3ClH/c1-10(2)22-14-11(8-16-9-20-14)21-15(22)19-5-3-4-12(23)13-17-6-7-18-13;;;/h6-10H,3-5H2,1-2H3,(H,17,18)(H,19,21);3*1H