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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-oxidanyl-butanenitrile Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-3-hydroxy-butanenitrile CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-3-hydroxybutanenitrile IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxybutanenitrile Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-3-hydroxy-butyronitrile Formula: C11H13N5O3 MolecularWeight: 263.25262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CC#N)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CC#N)O

InChI

InChI=1S/C11H13N5O3/c1-14-9-8(10(18)15(2)11(14)19)16(6-13-9)5-7(17)3-4-12/h6-7,17H,3,5H2,1-2H3