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

Systemtic Name: 2-azanyl-6-ethylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 2-amino-9-benzyl-6-ethylsulfanyl-7H-purin-8-one CAS Name: 2-amino-6-(ethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 2-amino-9-benzyl-6-ethylsulfanyl-7H-purin-8-one Traditional Name: 2-amino-9-benzyl-6-(ethylthio)-7H-purin-8-one Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC2=C1NC(=O)N2CC3=CC=CC=C3)N

Isomeric SMILES

CCSC1=NC(=NC2=C1NC(=O)N2CC3=CC=CC=C3)N

InChI

InChI=1S/C14H15N5OS/c1-2-21-12-10-11(17-13(15)18-12)19(14(20)16-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,16,20)(H2,15,17,18)