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

Systemtic Name: methyl 5-[(6-azanyl-2-butoxy-purin-9-yl)methyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(6-amino-2-butoxy-purin-9-yl)methyl]thiophene-2-carboxylate CAS Name: 5-[(6-amino-2-butoxy-9-purinyl)methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-amino-2-butoxypurin-9-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-[(6-amino-2-butoxy-purin-9-yl)methyl]thiophene-2-carboxylic acid methyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(S3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C16H19N5O3S/c1-3-4-7-24-16-19-13(17)12-14(20-16)21(9-18-12)8-10-5-6-11(25-10)15(22)23-2/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,19,20)