1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-[(4-nitrophenyl)methylthio]-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-dimethyl-8-[(4-nitrophenyl)methylsulfanyl]-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-dimethyl-8-[(4-nitrobenzyl)thio]-6-thioxo-7H-purin-2-one Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S2/c1-17-11-10(12(23)18(2)14(17)20)15-13(16-11)24-7-8-3-5-9(6-4-8)19(21)22/h3-6H,7H2,1-2H3,(H,15,16)