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

Systemtic Name: pentyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-1-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O4/c1-4-5-9-12-28-14(25)13-24-17(26)15-16(22(3)19(24)27)20-18(21(15)2)23-10-7-6-8-11-23/h4-13H2,1-3H3