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

Systemtic Name: 6-azanyl-2-phenethylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-phenethylsulfanyl-7H-purin-8-one CAS Name: 6-amino-2-(phenethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-phenethylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(phenethylthio)-7H-purin-8-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5OS/c21-17-16-18(25(20(26)22-16)13-15-9-5-2-6-10-15)24-19(23-17)27-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,22,26)(H2,21,23,24)