8-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-3-ethyl-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 8-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-3-ethyl-2-sulfanylidene-7H-purin-6-one Openeye Name: 8-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-3-ethyl-2-thioxo-7H-purin-6-one CAS Name: 8-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-3-ethyl-2-sulfanylidene-7H-purin-6-one IUPAC Name: 8-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-3-ethyl-2-sulfanylidene-7H-purin-6-one Traditional Name: 8-[3-(cyclopentoxy)-4-methoxy-benzyl]-3-ethyl-2-thioxo-7H-purin-6-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-3-24-18-17(19(25)23-20(24)28)21-16(22-18)11-12-8-9-14(26-2)15(10-12)27-13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,21,22)(H,23,25,28)