3-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[(3-benzyloxy-4-methoxy-phenyl)methyl]-8-(1-benzyloxy-1-methyl-ethyl)-2-thioxo-7H-purin-6-one CAS Name: 3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-(3-benzoxy-4-methoxy-benzyl)-8-(1-benzoxy-1-methyl-ethyl)-2-thioxo-7H-purin-6-one Formula: C30H30N4O4S MolecularWeight: 542.6486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N1)C(=O)NC(=S)N2CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C1=NC2=C(N1)C(=O)NC(=S)N2CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O4S/c1-30(2,38-19-21-12-8-5-9-13-21)28-31-25-26(32-28)34(29(39)33-27(25)35)17-22-14-15-23(36-3)24(16-22)37-18-20-10-6-4-7-11-20/h4-16H,17-19H2,1-3H3,(H,31,32)(H,33,35,39)