ethyl 5-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate

Systemtic Name: ethyl 5-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: ethyl 5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)pentanoate CAS Name: 5-(3,7-dimethyl-2,6-dioxo-1-purinyl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoate Traditional Name: 5-(2,6-diketo-3,7-dimethyl-purin-1-yl)valeric acid ethyl ester Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C14H20N4O4/c1-4-22-10(19)7-5-6-8-18-13(20)11-12(15-9-16(11)2)17(3)14(18)21/h9H,4-8H2,1-3H3