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

Systemtic Name: 6-azanyl-2-[2-(2-ethoxyethoxy)ethylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-[2-(2-ethoxyethoxy)ethylsulfanyl]-7H-purin-8-one CAS Name: 6-amino-2-[2-(2-ethoxyethoxy)ethylthio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-[2-(2-ethoxyethoxy)ethylsulfanyl]-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-[2-(2-ethoxyethoxy)ethylthio]-7H-purin-8-one Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCOCCOCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3S/c1-2-25-8-9-26-10-11-27-17-21-15(19)14-16(22-17)23(18(24)20-14)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,20,24)(H2,19,21,22)