N-butyl-9-propan-2-yl-purin-8-amine dihydrochloride

Systemtic Name: N-butyl-9-propan-2-yl-purin-8-amine dihydrochloride Openeye Name: N-butyl-9-isopropyl-purin-8-amine dihydrochloride CAS Name: N-butyl-9-propan-2-yl-8-purinamine dihydrochloride IUPAC Name: N-butyl-9-propan-2-ylpurin-8-amine dihydrochloride Traditional Name: butyl-(9-isopropylpurin-8-yl)amine dihydrochloride Formula: C12H21Cl2N5 MolecularWeight: 306.23464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=CN=CN=C2N1C(C)C.Cl.Cl

Isomeric SMILES

CCCCNC1=NC2=CN=CN=C2N1C(C)C.Cl.Cl

InChI

InChI=1S/C12H19N5.2ClH/c1-4-5-6-14-12-16-10-7-13-8-15-11(10)17(12)9(2)3;;/h7-9H,4-6H2,1-3H3,(H,14,16);2*1H