ethyl 5-[3-methyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)-7H-purin-1-yl]pentanoate

Systemtic Name: ethyl 5-[3-methyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)-7H-purin-1-yl]pentanoate Openeye Name: ethyl 5-[3-methyl-2,6-dioxo-8-[2-(4-piperidyl)ethyl]-7H-purin-1-yl]pentanoate CAS Name: 5-[3-methyl-2,6-dioxo-8-[2-(4-piperidinyl)ethyl]-7H-purin-1-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-methyl-2,6-dioxo-8-(2-piperidin-4-ylethyl)-7H-purin-1-yl]pentanoate Traditional Name: 5-[2,6-diketo-3-methyl-8-[2-(4-piperidyl)ethyl]-7H-purin-1-yl]valeric acid ethyl ester Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=O)C2=C(N=C(N2)CCC3CCNCC3)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCCN1C(=O)C2=C(N=C(N2)CCC3CCNCC3)N(C1=O)C

InChI

InChI=1S/C20H31N5O4/c1-3-29-16(26)6-4-5-13-25-19(27)17-18(24(2)20(25)28)23-15(22-17)8-7-14-9-11-21-12-10-14/h14,21H,3-13H2,1-2H3,(H,22,23)