8-(5-bromanylthiophen-2-yl)-3-butyl-7-(2-methoxyethyl)purine-2,6-dione

Systemtic Name: 8-(5-bromanylthiophen-2-yl)-3-butyl-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 8-(5-bromo-2-thienyl)-3-butyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(5-bromo-2-thiophenyl)-3-butyl-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 8-(5-bromothiophen-2-yl)-3-butyl-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 8-(5-bromo-2-thienyl)-3-butyl-7-(2-methoxyethyl)xanthine Formula: C16H19BrN4O3S MolecularWeight: 427.31606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(S3)Br)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(S3)Br)CCOC

InChI

InChI=1S/C16H19BrN4O3S/c1-3-4-7-21-14-12(15(22)19-16(21)23)20(8-9-24-2)13(18-14)10-5-6-11(17)25-10/h5-6H,3-4,7-9H2,1-2H3,(H,19,22,23)