(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethylammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethylazanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-methyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-ethyl-ammonium Formula: C20H25ClN5O4+ MolecularWeight: 434.8966

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C(NC(=O)N1)C)C(=O)OCC)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC1=C([C@@H](NC(=O)N1)C)C(=O)OCC)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN5O4/c1-4-26(9-15-17(19(28)30-5-2)11(3)22-20(29)24-15)10-16-23-14-8-12(21)6-7-13(14)18(27)25-16/h6-8,11H,4-5,9-10H2,1-3H3,(H2,22,24,29)(H,23,25,27)/p+1/t11-/m0/s1