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

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-phenylsulfanyl-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-phenylsulfanyl-7H-purin-8-one CAS Name: 6-amino-9-(phenylmethyl)-2-(phenylthio)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-phenylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(phenylthio)-7H-purin-8-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SC4=CC=CC=C4)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SC4=CC=CC=C4)N)NC2=O

InChI

InChI=1S/C18H15N5OS/c19-15-14-16(22-17(21-15)25-13-9-5-2-6-10-13)23(18(24)20-14)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,20,24)(H2,19,21,22)