3-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-8-propan-2-yl-purin-6-amine hydrochloride

Systemtic Name: 3-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-8-propan-2-yl-purin-6-amine hydrochloride Openeye Name: 3-[(3-benzyloxy-4-methoxy-phenyl)methyl]-8-isopropyl-purin-6-amine hydrochloride CAS Name: 3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-propan-2-yl-6-purinamine hydrochloride IUPAC Name: 3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-propan-2-ylpurin-6-amine hydrochloride Traditional Name: [3-(3-benzoxy-4-methoxy-benzyl)-8-isopropyl-purin-6-yl]amine hydrochloride Formula: C23H26ClN5O2 MolecularWeight: 439.93784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)N.Cl

Isomeric SMILES

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)N.Cl

InChI

InChI=1S/C23H25N5O2.ClH/c1-15(2)22-26-20-21(24)25-14-28(23(20)27-22)12-17-9-10-18(29-3)19(11-17)30-13-16-7-5-4-6-8-16;/h4-11,14-15H,12-13,24H2,1-3H3;1H