6-(2,4-dichlorophenyl)-8-phenyl-2-sulfanylidene-5,6-dihydro-1H-purine-9-carbothioamide

Systemtic Name: 6-(2,4-dichlorophenyl)-8-phenyl-2-sulfanylidene-5,6-dihydro-1H-purine-9-carbothioamide Openeye Name: 6-(2,4-dichlorophenyl)-8-phenyl-2-thioxo-5,6-dihydro-1H-purine-9-carbothioamide CAS Name: 6-(2,4-dichlorophenyl)-8-phenyl-2-sulfanylidene-5,6-dihydro-1H-purine-9-carbothioamide IUPAC Name: 6-(2,4-dichlorophenyl)-8-phenyl-2-sulfanylidene-5,6-dihydro-1H-purine-9-carbothioamide Traditional Name: 6-(2,4-dichlorophenyl)-8-phenyl-2-thioxo-5,6-dihydro-1H-purine-9-carbothioamide Formula: C18H13Cl2N5S2 MolecularWeight: 434.36532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3C(NC(=S)N=C3N2C(=S)N)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3C(NC(=S)N=C3N2C(=S)N)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H13Cl2N5S2/c19-10-6-7-11(12(20)8-10)13-14-16(24-18(27)23-13)25(17(21)26)15(22-14)9-4-2-1-3-5-9/h1-8,13-14H,(H2,21,26)(H,23,27)