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ethyl 2-cyano-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanoate

ethyl 2-cyano-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanoate

Systemtic Name:ethyl 2-cyano-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanoate
Openeye Name:ethyl 2-cyano-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetate
CAS Name:2-cyano-2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)acetic acid ethyl ester
IUPAC Name:ethyl 2-cyano-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetate
Traditional Name:2-cyano-2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)acetic acid ethyl ester
Formula: C13H15N5O4
MolecularWeight: 305.2893
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C


Isomeric SMILES

CCOC(=O)C(C#N)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C


InChI

InChI=1S/C13H15N5O4/c1-5-22-12(20)7(6-14)9-15-10-8(16(9)2)11(19)18(4)13(21)17(10)3/h7H,5H2,1-4H3


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