2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(4-tert-butylthiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(4-tert-butyl-2-thiazolyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(4-tert-butylthiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H19N4O4S+ MolecularWeight: 423.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-21(2,3)15-12-30-19(22-15)13-7-9-14(10-8-13)29-18-17(25(27)28)20(26)24-11-5-4-6-16(24)23-18/h4-12H,1-3H3/p+1