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

Systemtic Name: 6-azanyl-2-(2-isocyanoethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(2-isocyanoethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(2-isocyanoethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(2-isocyanoethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(2-isocyanoethylthio)-7H-purin-8-one Formula: C15H14N6OS MolecularWeight: 326.37626

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

[C-]#[N+]CCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H14N6OS/c1-17-7-8-23-14-19-12(16)11-13(20-14)21(15(22)18-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,(H,18,22)(H2,16,19,20)