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

Systemtic Name: 7-ethyl-3-(phenylmethyl)-8-thiophen-3-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-8-(3-thienyl)purine-2,6-dione CAS Name: 7-ethyl-3-(phenylmethyl)-8-(3-thiophenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-8-thiophen-3-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-8-(3-thienyl)xanthine Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1C3=CSC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(N=C1C3=CSC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C18H16N4O2S/c1-2-21-14-16(19-15(21)13-8-9-25-11-13)22(18(24)20-17(14)23)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,20,23,24)