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

Systemtic Name: N-ethyl-3-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-8-propan-2-yl-purin-6-amine hydrochloride Openeye Name: 3-[(3-benzyloxy-4-methoxy-phenyl)methyl]-N-ethyl-8-isopropyl-purin-6-amine hydrochloride CAS Name: N-ethyl-3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-propan-2-yl-6-purinamine hydrochloride IUPAC Name: N-ethyl-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]-ethyl-amine hydrochloride Formula: C25H30ClN5O2 MolecularWeight: 467.991

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4.Cl

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C25H29N5O2.ClH/c1-5-26-24-22-25(29-23(28-22)17(2)3)30(16-27-24)14-19-11-12-20(31-4)21(13-19)32-15-18-9-7-6-8-10-18;/h6-13,16-17,26H,5,14-15H2,1-4H3;1H