ethyl 2-[(6-azanyl-2-phenyl-7H-purin-8-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(6-azanyl-2-phenyl-7H-purin-8-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(6-amino-2-phenyl-7H-purin-8-yl)sulfanyl]acetate CAS Name: 2-[(6-amino-2-phenyl-7H-purin-8-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-amino-2-phenyl-7H-purin-8-yl)sulfanyl]acetate Traditional Name: 2-[(6-amino-2-phenyl-7H-purin-8-yl)thio]acetic acid ethyl ester Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1)C(=NC(=N2)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1)C(=NC(=N2)C3=CC=CC=C3)N

InChI

InChI=1S/C15H15N5O2S/c1-2-22-10(21)8-23-15-17-11-12(16)18-13(19-14(11)20-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,16,17,18,19,20)