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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-2-thioxo-7H-purin-6-one Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C(=O)NC2=S)NC=N3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C(=O)NC2=S)NC=N3)OC4CCCC4

InChI

InChI=1S/C18H20N4O3S/c1-24-13-7-6-11(8-14(13)25-12-4-2-3-5-12)9-22-16-15(19-10-20-16)17(23)21-18(22)26/h6-8,10,12H,2-5,9H2,1H3,(H,19,20)(H,21,23,26)