4-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanenitrile

Systemtic Name: 4-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanenitrile Openeye Name: 4-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)butanenitrile CAS Name: 4-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)butanenitrile IUPAC Name: 4-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile Traditional Name: 4-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)butyronitrile Formula: C11H12ClN5O2 MolecularWeight: 281.69828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCC#N

InChI

InChI=1S/C11H12ClN5O2/c1-15-8-7(9(18)16(2)11(15)19)17(10(12)14-8)6-4-3-5-13/h3-4,6H2,1-2H3