[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C21H29N3O5/c1-3-4-24-17(22)16(18(26)23(2)20(24)28)15(25)11-29-19(27)21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14H,3-11,22H2,1-2H3