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

Systemtic Name: methyl 5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]thiophene-2-carboxylate CAS Name: 5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]thiophene-2-carboxylic acid methyl ester Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4S/c1-3-4-7-25-15-19-12(17)11-13(20-15)21(16(23)18-11)8-9-5-6-10(26-9)14(22)24-2/h5-6H,3-4,7-8H2,1-2H3,(H,18,23)(H2,17,19,20)