methyl 2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]thiophen-2-yl]ethanoate

Systemtic Name: methyl 2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]thiophen-2-yl]ethanoate Openeye Name: methyl 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-thienyl]acetate CAS Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-thiophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]thiophen-2-yl]acetate Traditional Name: 2-[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-thienyl]acetic acid methyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(S3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(S3)CC(=O)OC

InChI

InChI=1S/C17H21N5O4S/c1-3-4-7-26-16-20-14(18)13-15(21-16)22(17(24)19-13)9-11-6-5-10(27-11)8-12(23)25-2/h5-6H,3-4,7-9H2,1-2H3,(H,19,24)(H2,18,20,21)