3-(furan-2-ylmethyl)-1-pentyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(furan-2-ylmethyl)-1-pentyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-(2-furylmethyl)-1-pentyl-8-(2-thienylmethyl)-7H-purine-2,6-dione CAS Name: 3-(2-furanylmethyl)-1-pentyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-(furan-2-ylmethyl)-1-pentyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 1-amyl-3-(2-furfuryl)-8-(2-thenyl)-7H-purine-2,6-quinone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C20H22N4O3S/c1-2-3-4-9-23-19(25)17-18(22-16(21-17)12-15-8-6-11-28-15)24(20(23)26)13-14-7-5-10-27-14/h5-8,10-11H,2-4,9,12-13H2,1H3,(H,21,22)