6-azanyl-2-(3-ethoxypropylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(3-ethoxypropylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(3-ethoxypropylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(3-ethoxypropylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(3-ethoxypropylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(3-ethoxypropylthio)-7H-purin-8-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCOCCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c1-2-24-9-6-10-25-16-20-14(18)13-15(21-16)22(17(23)19-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,19,23)(H2,18,20,21)