N-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]-N-methyl-ethanamide hydrochloride

Systemtic Name: N-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]-N-methyl-ethanamide hydrochloride Openeye Name: N-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]-N-methyl-acetamide hydrochloride CAS Name: N-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]-N-methylacetamide hydrochloride IUPAC Name: N-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]-N-methylacetamide hydrochloride Traditional Name: N-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]-N-methyl-acetamide hydrochloride Formula: C18H22ClN7O MolecularWeight: 387.86658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)NC4CCC4)NC=N3.Cl

Isomeric SMILES

CC(=O)N(C)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)NC4CCC4)NC=N3.Cl

InChI

InChI=1S/C18H21N7O.ClH/c1-11(26)25(2)14-8-6-13(7-9-14)22-18-23-16-15(19-10-20-16)17(24-18)21-12-4-3-5-12;/h6-10,12H,3-5H2,1-2H3,(H3,19,20,21,22,23,24);1H