[(1R)-1-cyanoethyl] 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: [(1R)-1-cyanoethyl] 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid [(1R)-1-cyanoethyl] ester Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

C[C@H](C#N)OC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H17N5O4/c1-9(7-15)23-10(20)5-4-6-19-8-16-12-11(19)13(21)18(3)14(22)17(12)2/h8-9H,4-6H2,1-3H3/t9-/m1/s1