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

Systemtic Name: 8-(5-bromanylthiophen-3-yl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(5-bromo-3-thienyl)-7-(3-methoxypropyl)purine-2,6-dione CAS Name: 8-(5-bromo-3-thiophenyl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(5-bromothiophen-3-yl)-7-(3-methoxypropyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(5-bromo-3-thienyl)-7-(3-methoxypropyl)xanthine Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(N=C1C3=CSC(=C3)Br)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCCN1C2=C(N=C1C3=CSC(=C3)Br)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H19BrN4O3S/c1-28-9-5-8-24-16-18(22-17(24)14-10-15(21)29-12-14)25(20(27)23-19(16)26)11-13-6-3-2-4-7-13/h2-4,6-7,10,12H,5,8-9,11H2,1H3,(H,23,26,27)