6-methylsulfanyl-7-(phenylmethoxymethyl)-3-(phenylmethyl)purin-2-one

Systemtic Name: 6-methylsulfanyl-7-(phenylmethoxymethyl)-3-(phenylmethyl)purin-2-one Openeye Name: 3-benzyl-7-(benzyloxymethyl)-6-methylsulfanyl-purin-2-one CAS Name: 6-(methylthio)-7-(phenylmethoxymethyl)-3-(phenylmethyl)-2-purinone IUPAC Name: 3-benzyl-6-methylsulfanyl-7-(phenylmethoxymethyl)purin-2-one Traditional Name: 7-(benzoxymethyl)-3-benzyl-6-(methylthio)purin-2-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)N(C2=C1N(C=N2)COCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=O)N(C2=C1N(C=N2)COCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-28-20-18-19(25(21(26)23-20)12-16-8-4-2-5-9-16)22-14-24(18)15-27-13-17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3