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

Systemtic Name: 6-azanyl-2-[2-(2-methoxyethoxy)ethylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-[2-(2-methoxyethoxy)ethylsulfanyl]-7H-purin-8-one CAS Name: 6-amino-2-[2-(2-methoxyethoxy)ethylthio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-[2-(2-methoxyethoxy)ethylsulfanyl]-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-[2-(2-methoxyethoxy)ethylthio]-7H-purin-8-one Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COCCOCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3S/c1-24-7-8-25-9-10-26-16-20-14(18)13-15(21-16)22(17(23)19-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,19,23)(H2,18,20,21)