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

Systemtic Name: 3-butyl-8-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-7-propyl-xanthine Formula: C22H32N8O3S MolecularWeight: 488.60628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(N3C4CC4)N5CCOCC5)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(N3C4CC4)N5CCOCC5)CCC

InChI

InChI=1S/C22H32N8O3S/c1-3-5-9-29-18-17(19(31)24-21(29)32)28(8-4-2)16(23-18)14-34-22-26-25-20(30(22)15-6-7-15)27-10-12-33-13-11-27/h15H,3-14H2,1-2H3,(H,24,31,32)