[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)C4=NC=CC=N4

Isomeric SMILES

CN(CC(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)C4=NC=CC=N4

InChI

InChI=1S/C20H27N5O4/c1-25(18-21-3-2-4-22-18)11-17(27)29-12-16(26)23-19(28)24-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-12H2,1H3,(H2,23,24,26,28)