N-ethyl-3-(phenylmethyl)-8-propan-2-yl-purin-6-amine hydrochloride

Systemtic Name: N-ethyl-3-(phenylmethyl)-8-propan-2-yl-purin-6-amine hydrochloride Openeye Name: 3-benzyl-N-ethyl-8-isopropyl-purin-6-amine hydrochloride CAS Name: N-ethyl-3-(phenylmethyl)-8-propan-2-yl-6-purinamine hydrochloride IUPAC Name: 3-benzyl-N-ethyl-8-propan-2-ylpurin-6-amine hydrochloride Traditional Name: (3-benzyl-8-isopropyl-purin-6-yl)-ethyl-amine hydrochloride Formula: C17H22ClN5 MolecularWeight: 331.84308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5.ClH/c1-4-18-16-14-17(21-15(20-14)12(2)3)22(11-19-16)10-13-8-6-5-7-9-13;/h5-9,11-12,18H,4,10H2,1-3H3;1H