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

Systemtic Name: 3-butyl-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-xanthine Formula: C18H21N7O3S MolecularWeight: 415.46944

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O3S/c1-4-5-8-25-15-13(16(26)20-17(25)27)23(2)12(19-15)10-29-18-22-21-14(24(18)3)11-7-6-9-28-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,20,26,27)