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

Systemtic Name: ethyl 4-[7-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]butanoate Openeye Name: ethyl 4-(7-methyl-2,6-dioxo-3-propyl-purin-1-yl)butanoate CAS Name: 4-(7-methyl-2,6-dioxo-3-propyl-1-purinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(7-methyl-2,6-dioxo-3-propylpurin-1-yl)butanoate Traditional Name: 4-(2,6-diketo-7-methyl-3-propyl-purin-1-yl)butyric acid ethyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCCC(=O)OCC)N(C=N2)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCCC(=O)OCC)N(C=N2)C

InChI

InChI=1S/C15H22N4O4/c1-4-8-18-13-12(17(3)10-16-13)14(21)19(15(18)22)9-6-7-11(20)23-5-2/h10H,4-9H2,1-3H3