3,7-bis(2-methylpropyl)-8-thiophen-2-yl-purine-2,6-dione

Systemtic Name: 3,7-bis(2-methylpropyl)-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 3,7-diisobutyl-8-(2-thienyl)purine-2,6-dione CAS Name: 3,7-bis(2-methylpropyl)-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 3,7-bis(2-methylpropyl)-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 3,7-diisobutyl-8-(2-thienyl)xanthine Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC=CS3)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC=CS3)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C17H22N4O2S/c1-10(2)8-20-13-15(18-14(20)12-6-5-7-24-12)21(9-11(3)4)17(23)19-16(13)22/h5-7,10-11H,8-9H2,1-4H3,(H,19,22,23)