[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-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] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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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)O)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)N

InChI

InChI=1S/C21H29N3O6/c1-3-4-24-16(22)15(17(26)23(2)19(24)28)14(25)10-30-18(27)20-6-12-5-13(7-20)9-21(29,8-12)11-20/h12-13,29H,3-11,22H2,1-2H3/t12-,13+,20?,21?