ethyl 2-[2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)thiazol-4-yl]acetate CAS Name: 2-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)thiazol-4-yl]acetic acid ethyl ester Formula: C15H15N4O3S+ MolecularWeight: 331.3696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)[N+]2=CN=C3C=CC(=CC3C2=O)N

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)[N+]2=CN=C3C=CC(=CC3C2=O)N

InChI

InChI=1S/C15H15N4O3S/c1-2-22-13(20)6-10-7-23-15(18-10)19-8-17-12-4-3-9(16)5-11(12)14(19)21/h3-5,7-8,11H,2,6,16H2,1H3/q+1