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

Systemtic Name: 3-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[(3-benzyloxy-4-methoxy-phenyl)methyl]-8-isopropyl-2-thioxo-7H-purin-6-one CAS Name: 3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-(3-benzoxy-4-methoxy-benzyl)-8-isopropyl-2-thioxo-7H-purin-6-one Formula: C23H24N4O3S MolecularWeight: 436.52666

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-14(2)20-24-19-21(25-20)27(23(31)26-22(19)28)12-16-9-10-17(29-3)18(11-16)30-13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,24,25)(H,26,28,31)