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

Systemtic Name: ethyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-1-yl]ethanoate Openeye Name: ethyl 2-[3,7-dimethyl-2,6-dioxo-8-(1-piperidyl)purin-1-yl]acetate CAS Name: 2-[3,7-dimethyl-2,6-dioxo-8-(1-piperidinyl)-1-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3,7-dimethyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-8-piperidino-purin-1-yl)acetic acid ethyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(N=C(N2C)N3CCCCC3)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(N=C(N2C)N3CCCCC3)N(C1=O)C

InChI

InChI=1S/C16H23N5O4/c1-4-25-11(22)10-21-14(23)12-13(19(3)16(21)24)17-15(18(12)2)20-8-6-5-7-9-20/h4-10H2,1-3H3