sodium 2-[2-azanyl-5,6-bis(chloranyl)-4H-quinazolin-3-yl]-2-methyl-propanoate

Systemtic Name: sodium 2-[2-azanyl-5,6-bis(chloranyl)-4H-quinazolin-3-yl]-2-methyl-propanoate Openeye Name: sodium 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)-2-methyl-propanoate CAS Name: sodium 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)-2-methylpropanoate IUPAC Name: sodium 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)-2-methylpropanoate Traditional Name: sodium 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)-2-methyl-propionate Formula: C12H12Cl2N3NaO2 MolecularWeight: 324.13835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])N1CC2=C(C=CC(=C2Cl)Cl)N=C1N.[Na+]

Isomeric SMILES

CC(C)(C(=O)[O-])N1CC2=C(C=CC(=C2Cl)Cl)N=C1N.[Na+]

InChI

InChI=1S/C12H13Cl2N3O2.Na/c1-12(2,10(18)19)17-5-6-8(16-11(17)15)4-3-7(13)9(6)14;/h3-4H,5H2,1-2H3,(H2,15,16)(H,18,19);/q;+1/p-1