2-[8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanenitrile

Systemtic Name: 2-[8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanenitrile Openeye Name: 2-[8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2,6-dioxo-purin-9-yl]acetonitrile CAS Name: 2-[8-[(4-chlorophenyl)thio]-1,3-dimethyl-2,6-dioxo-9-purinyl]acetonitrile IUPAC Name: 2-[8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2,6-dioxopurin-9-yl]acetonitrile Traditional Name: 2-[8-[(4-chlorophenyl)thio]-2,6-diketo-1,3-dimethyl-purin-9-yl]acetonitrile Formula: C15H12ClN5O2S MolecularWeight: 361.80608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC#N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC#N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H12ClN5O2S/c1-19-12-11(13(22)20(2)15(19)23)18-14(21(12)8-7-17)24-10-5-3-9(16)4-6-10/h3-6H,8H2,1-2H3