8-[(E)-2-(3-isothiocyanatophenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-isothiocyanatophenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-isothiocyanatophenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-isothiocyanatophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-isothiocyanatophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-isothiocyanatophenyl)vinyl]-1,3,7-trimethyl-xanthine Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=CC=C3)N=C=S

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)N=C=S

InChI

InChI=1S/C17H15N5O2S/c1-20-13(8-7-11-5-4-6-12(9-11)18-10-25)19-15-14(20)16(23)22(3)17(24)21(15)2/h4-9H,1-3H3/b8-7+