methyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethanoate

Systemtic Name: methyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethanoate Openeye Name: methyl 2-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)acetic acid methyl ester Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(=O)OC

InChI

InChI=1S/C14H19N5O4/c1-17-11-10(12(21)16-14(17)22)19(8-9(20)23-2)13(15-11)18-6-4-3-5-7-18/h3-8H2,1-2H3,(H,16,21,22)