[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H27N3O5/c1-12(24)21-20-8-13-4-14(9-20)7-19(6-13,11-20)17(26)28-10-15-5-16(25)23(3)18(27)22(15)2/h5,13-14H,4,6-11H2,1-3H3,(H,21,24)