6-azanyl-2-(phenylmethoxymethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(phenylmethoxymethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(benzyloxymethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(phenylmethoxymethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(phenylmethoxymethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-2-(benzoxymethylthio)-9-benzyl-7H-purin-8-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCOCC4=CC=CC=C4)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCOCC4=CC=CC=C4)N)NC2=O

InChI

InChI=1S/C20H19N5O2S/c21-17-16-18(25(20(26)22-16)11-14-7-3-1-4-8-14)24-19(23-17)28-13-27-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,22,26)(H2,21,23,24)