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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6-(ethylamino)-7H-purine-2-thione Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6-(ethylamino)-7H-purine-2-thione CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-(ethylamino)-7H-purine-2-thione IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-(ethylamino)-7H-purine-2-thione Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-6-(ethylamino)-7H-purine-2-thione Formula: C20H25N5O2S MolecularWeight: 399.5098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2S/c1-3-21-18-17-19(23-12-22-17)25(20(28)24-18)11-13-8-9-15(26-2)16(10-13)27-14-6-4-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H,22,23)(H,21,24,28)