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

Systemtic Name: 4-[8-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: 4-(8-amino-1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(8-amino-1,3-dimethyl-2,6-dioxo-7-purinyl)butanoate IUPAC Name: 4-(8-amino-1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(8-amino-2,6-diketo-1,3-dimethyl-purin-7-yl)butyrate Formula: C11H14N5O4- MolecularWeight: 280.25996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CCCC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CCCC(=O)[O-]

InChI

InChI=1S/C11H15N5O4/c1-14-8-7(9(19)15(2)11(14)20)16(10(12)13-8)5-3-4-6(17)18/h3-5H2,1-2H3,(H2,12,13)(H,17,18)/p-1