ethyl 6-oxidanylidene-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate Openeye Name: ethyl 6-oxo-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate CAS Name: 6-oxo-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate Traditional Name: 6-keto-1,8-diphenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylic acid ethyl ester Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=NC(=CC(=O)N2N1)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=NC(=CC(=O)N2N1)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3/c1-2-28-19(27)18-22-24(15-11-7-4-8-12-15)20-21-16(13-17(26)25(20)23-18)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,22,23)