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

Systemtic Name: 6-azanyl-2-(isocyanomethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(isocyanomethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(isocyanomethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(isocyanomethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(isocyanomethylthio)-7H-purin-8-one Formula: C14H12N6OS MolecularWeight: 312.34968

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

[C-]#[N+]CSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C14H12N6OS/c1-16-8-22-13-18-11(15)10-12(19-13)20(14(21)17-10)7-9-5-3-2-4-6-9/h2-6H,7-8H2,(H,17,21)(H2,15,18,19)