3-butyl-7-ethyl-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]xanthine Formula: C19H23N7O3S MolecularWeight: 429.49602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(N3C)C4=CC=CO4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(N3C)C4=CC=CO4)CC

InChI

InChI=1S/C19H23N7O3S/c1-4-6-9-26-16-14(17(27)21-18(26)28)25(5-2)13(20-16)11-30-19-23-22-15(24(19)3)12-8-7-10-29-12/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,27,28)