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

Systemtic Name: 8-(5-bromanylthiophen-3-yl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(5-bromo-3-thienyl)-3-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(5-bromo-3-thiophenyl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(5-bromothiophen-3-yl)-3-(2-methoxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(5-bromo-3-thienyl)-3-(2-methoxyethyl)xanthine Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC(=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC(=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C19H17BrN4O3S/c1-27-8-7-23-17-15(18(25)22-19(23)26)24(10-12-5-3-2-4-6-12)16(21-17)13-9-14(20)28-11-13/h2-6,9,11H,7-8,10H2,1H3,(H,22,25,26)