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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(phenylmethoxymethyl)-2-sulfanylidene-7H-purin-6-one Openeye Name: 8-(benzyloxymethyl)-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(phenylmethoxymethyl)-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(phenylmethoxymethyl)-2-sulfanylidene-7H-purin-6-one Traditional Name: 8-(benzoxymethyl)-3-[3-(cyclopentoxy)-4-methoxy-benzyl]-2-thioxo-7H-purin-6-one Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C(=O)NC2=S)NC(=N3)COCC4=CC=CC=C4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C(=O)NC2=S)NC(=N3)COCC4=CC=CC=C4)OC5CCCC5

InChI

InChI=1S/C26H28N4O4S/c1-32-20-12-11-18(13-21(20)34-19-9-5-6-10-19)14-30-24-23(25(31)29-26(30)35)27-22(28-24)16-33-15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19H,5-6,9-10,14-16H2,1H3,(H,27,28)(H,29,31,35)