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

Systemtic Name: 8-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-3-ethyl-7H-purine-2,6-dithione Openeye Name: 8-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-3-ethyl-7H-purine-2,6-dithione CAS Name: 8-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-3-ethyl-7H-purine-2,6-dithione IUPAC Name: 8-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-3-ethyl-7H-purine-2,6-dithione Traditional Name: 8-[3-(cyclopentoxy)-4-methoxy-benzyl]-3-ethyl-7H-purine-2,6-dithione Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=S)NC1=S)NC(=N2)CC3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CCN1C2=C(C(=S)NC1=S)NC(=N2)CC3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C20H24N4O2S2/c1-3-24-18-17(19(27)23-20(24)28)21-16(22-18)11-12-8-9-14(25-2)15(10-12)26-13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,21,22)(H,23,27,28)