3,5-dihydropurine-6-thione; 8-[3-(dimethylamino)propoxy]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 3,5-dihydropurine-6-thione; 8-[3-(dimethylamino)propoxy]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 3,5-dihydropurine-6-thione; 8-[3-(dimethylamino)propoxy]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 3,5-dihydropurine-6-thione; 8-[3-(dimethylamino)propoxy]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 3,5-dihydropurine-6-thione; 8-[3-(dimethylamino)propoxy]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 3,5-dihydropurine-6-thione; 8-[3-(dimethylamino)propoxy]-1,3,7-trimethyl-xanthine Formula: C18H25N9O3S MolecularWeight: 447.5146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCCCN(C)C)N(C(=O)N(C2=O)C)C.C1=NC(=S)C2C(=NC=N2)N1

Isomeric SMILES

CN1C2=C(N=C1OCCCN(C)C)N(C(=O)N(C2=O)C)C.C1=NC(=S)C2C(=NC=N2)N1

InChI

InChI=1S/C13H21N5O3.C5H4N4S/c1-15(2)7-6-8-21-12-14-10-9(16(12)3)11(19)18(5)13(20)17(10)4;10-5-3-4(7-1-6-3)8-2-9-5/h6-8H2,1-5H3;1-3H,(H,6,7,8,9,10)