1-(9-isothiocyanatononyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(9-isothiocyanatononyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(9-isothiocyanatononyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(9-isothiocyanatononyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(9-isothiocyanatononyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(9-isothiocyanatononyl)-3,7-dimethyl-xanthine Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCN=C=S

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCN=C=S

InChI

InChI=1S/C17H25N5O2S/c1-20-12-19-15-14(20)16(23)22(17(24)21(15)2)11-9-7-5-3-4-6-8-10-18-13-25/h12H,3-11H2,1-2H3