3-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanenitrile

Systemtic Name: 3-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanenitrile Openeye Name: 3-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylpropanenitrile CAS Name: 3-[[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]propanenitrile IUPAC Name: 3-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpropanenitrile Traditional Name: 3-[[7-(4-bromobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]propionitrile Formula: C17H16BrN5O2S MolecularWeight: 434.31024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC#N)CC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC#N)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN5O2S/c1-21-14-13(15(24)22(2)17(21)25)23(16(20-14)26-9-3-8-19)10-11-4-6-12(18)7-5-11/h4-7H,3,9-10H2,1-2H3