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

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl 2-piperidin-1-ylethanoate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl 2-(1-piperidyl)acetate CAS Name: 2-(1-piperidinyl)acetic acid [1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl 2-piperidin-1-ylacetate Traditional Name: 2-piperidinoacetic acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c1-13(2)9-23-16-15(17(25)20(3)18(23)26)22(11-19-16)12-27-14(24)10-21-7-5-4-6-8-21/h11,13H,4-10,12H2,1-3H3