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

Systemtic Name: ethyl 4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butanoate Openeye Name: ethyl 4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)butanoate CAS Name: 4-(3,7-dimethyl-2,6-dioxo-1-purinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoate Traditional Name: 4-(2,6-diketo-3,7-dimethyl-purin-1-yl)butyric acid ethyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C13H18N4O4/c1-4-21-9(18)6-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3