diethyl-[(2S)-1-[3-(6-methyl-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[3-(6-methyl-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[3-(6-methyl-2-morpholino-4-oxo-1H-pyrimidin-5-yl)propanoylamino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[3-[6-methyl-2-(4-morpholinyl)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[3-(4-keto-6-methyl-2-morpholino-1H-pyrimidin-5-yl)propanoylamino]ethyl]-diethyl-ammonium Formula: C25H38N5O3+ MolecularWeight: 456.60092

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)CCC2=C(NC(=NC2=O)N3CCOCC3)C

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)CCC2=C(NC(=NC2=O)N3CCOCC3)C

InChI

InChI=1S/C25H37N5O3/c1-4-29(5-2)21(17-20-9-7-6-8-10-20)18-26-23(31)12-11-22-19(3)27-25(28-24(22)32)30-13-15-33-16-14-30/h6-10,21H,4-5,11-18H2,1-3H3,(H,26,31)(H,27,28,32)/p+1/t21-/m0/s1