1-ethyl-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione

Systemtic Name: 1-ethyl-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione Openeye Name: 1-ethyl-3-(2-furylmethyl)-7-methyl-8-(2-thienylmethyl)purine-2,6-dione CAS Name: 1-ethyl-3-(2-furanylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione IUPAC Name: 1-ethyl-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione Traditional Name: 1-ethyl-3-(2-furfuryl)-7-methyl-8-(2-thenyl)xanthine Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

InChI

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