3-butyl-7-(furan-2-ylmethyl)-8-thiophen-2-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-8-(2-thienyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-8-(2-thienyl)xanthine Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CC4=CC=CO4

InChI

InChI=1S/C18H18N4O3S/c1-2-3-8-21-16-14(17(23)20-18(21)24)22(11-12-6-4-9-25-12)15(19-16)13-7-5-10-26-13/h4-7,9-10H,2-3,8,11H2,1H3,(H,20,23,24)