1-[3-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(1-amino-4-phenyl-imidazol-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(1-amino-4-phenyl-2-imidazolyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(1-amino-4-phenylimidazol-2-yl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(1-amino-4-phenyl-imidazol-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C19H21N7O2S/c1-23-12-21-16-15(23)17(27)25(19(28)24(16)2)9-6-10-29-18-22-14(11-26(18)20)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10,20H2,1-2H3