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

Systemtic Name: 7-(3-methoxypropyl)-3-(phenylmethyl)-8-thiophen-3-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-(3-methoxypropyl)-8-(3-thienyl)purine-2,6-dione CAS Name: 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(3-thiophenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methoxypropyl)-8-thiophen-3-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-(3-methoxypropyl)-8-(3-thienyl)xanthine Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-27-10-5-9-23-16-18(21-17(23)15-8-11-28-13-15)24(20(26)22-19(16)25)12-14-6-3-2-4-7-14/h2-4,6-8,11,13H,5,9-10,12H2,1H3,(H,22,25,26)