6-chloranyl-2-[[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(1R)-1-cyclopropylethyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 6-chloranyl-2-[[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(1R)-1-cyclopropylethyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 6-chloro-2-[[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1R)-1-cyclopropylethyl]ammonio]methyl]quinazolin-4-olate CAS Name: 6-chloro-2-[[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1R)-1-cyclopropylethyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 6-chloro-2-[[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1R)-1-cyclopropylethyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 6-chloro-2-[[(6-chloro-4-keto-1H-quinazolin-2-yl)methyl-[(1R)-1-cyclopropylethyl]ammonio]methyl]quinazolin-4-olate Formula: C23H21Cl2N5O2 MolecularWeight: 470.35114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)[NH+](CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)CC4=NC5=C(C=C(C=C5)Cl)C(=N4)[O-]

Isomeric SMILES

C[C@H](C1CC1)[NH+](CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)CC4=NC5=C(C=C(C=C5)Cl)C(=N4)[O-]

InChI

InChI=1S/C23H21Cl2N5O2/c1-12(13-2-3-13)30(10-20-26-18-6-4-14(24)8-16(18)22(31)28-20)11-21-27-19-7-5-15(25)9-17(19)23(32)29-21/h4-9,12-13H,2-3,10-11H2,1H3,(H,26,28,31)(H,27,29,32)/t12-/m1/s1