2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)-4-methyl-thiazole-5-carboxylic acid Formula: C13H11N4O3S+ MolecularWeight: 303.31644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)[N+]2=CN=C3C=CC(=CC3C2=O)N)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)[N+]2=CN=C3C=CC(=CC3C2=O)N)C(=O)O

InChI

InChI=1S/C13H10N4O3S/c1-6-10(12(19)20)21-13(16-6)17-5-15-9-3-2-7(14)4-8(9)11(17)18/h2-5,8H,14H2,1H3/p+1