cyclopropyl-[[(4R)-5-ethoxycarbonyl-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: cyclopropyl-[[(4R)-5-ethoxycarbonyl-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-cyclopropyl-[[(4R)-5-ethoxycarbonyl-4-(5-methyl-2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: cyclopropyl-[[(4R)-5-ethoxycarbonyl-4-(5-methyl-2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-cyclopropyl-[[(4R)-5-ethoxycarbonyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: benzyl-[[(4R)-5-carbethoxy-2-keto-4-(5-methyl-2-furyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-cyclopropyl-ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)C[NH+](CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(O2)C)C[NH+](CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H27N3O4/c1-3-29-22(27)20-18(24-23(28)25-21(20)19-12-9-15(2)30-19)14-26(17-10-11-17)13-16-7-5-4-6-8-16/h4-9,12,17,21H,3,10-11,13-14H2,1-2H3,(H2,24,25,28)/p+1/t21-/m0/s1