1-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-piperidin-1-ylethanoate

Systemtic Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-piperidin-1-ylethanoate Openeye Name: 1-(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)ethyl 2-(1-piperidyl)acetate CAS Name: 2-(1-piperidinyl)acetic acid 1-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]ethyl ester IUPAC Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]ethyl 2-piperidin-1-ylacetate Traditional Name: 2-piperidinoacetic acid 1-(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)ethyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C)OC(=O)CN3CCCCC3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C)OC(=O)CN3CCCCC3

InChI

InChI=1S/C19H29N5O4/c1-13(2)10-23-17-16(18(26)21(4)19(23)27)24(12-20-17)14(3)28-15(25)11-22-8-6-5-7-9-22/h12-14H,5-11H2,1-4H3