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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6-(ethylamino)-8-propan-2-yl-7H-purine-2-thione Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6-(ethylamino)-8-isopropyl-7H-purine-2-thione CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-(ethylamino)-8-propan-2-yl-7H-purine-2-thione IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-(ethylamino)-8-propan-2-yl-7H-purine-2-thione Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-6-(ethylamino)-8-isopropyl-7H-purine-2-thione Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2S/c1-5-24-21-19-22(26-20(25-19)14(2)3)28(23(31)27-21)13-15-10-11-17(29-4)18(12-15)30-16-8-6-7-9-16/h10-12,14,16H,5-9,13H2,1-4H3,(H,25,26)(H,24,27,31)