8-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-3-ethyl-6-(ethylamino)-7H-purine-2-thione

Systemtic Name: 8-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-3-ethyl-6-(ethylamino)-7H-purine-2-thione Openeye Name: 8-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-3-ethyl-6-(ethylamino)-7H-purine-2-thione CAS Name: 8-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-3-ethyl-6-(ethylamino)-7H-purine-2-thione IUPAC Name: 8-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-3-ethyl-6-(ethylamino)-7H-purine-2-thione Traditional Name: 8-[3-(cyclopentoxy)-4-methoxy-benzyl]-3-ethyl-6-(ethylamino)-7H-purine-2-thione Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=S)N(C2=C1NC(=N2)CC3=CC(=C(C=C3)OC)OC4CCCC4)CC

Isomeric SMILES

CCNC1=NC(=S)N(C2=C1NC(=N2)CC3=CC(=C(C=C3)OC)OC4CCCC4)CC

InChI

InChI=1S/C22H29N5O2S/c1-4-23-20-19-21(27(5-2)22(30)26-20)25-18(24-19)13-14-10-11-16(28-3)17(12-14)29-15-8-6-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,24,25)(H,23,26,30)