1-(4-methylphenyl)-8-phenyl-3-thiophen-2-ylcarbonyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one

Systemtic Name: 1-(4-methylphenyl)-8-phenyl-3-thiophen-2-ylcarbonyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one Openeye Name: 8-phenyl-1-(p-tolyl)-3-(thiophene-2-carbonyl)-4H-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one CAS Name: 1-(4-methylphenyl)-3-[oxo(thiophen-2-yl)methyl]-8-phenyl-4H-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one IUPAC Name: 1-(4-methylphenyl)-8-phenyl-3-(thiophene-2-carbonyl)-4H-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one Traditional Name: 8-phenyl-1-(p-tolyl)-3-(2-thenoyl)-4H-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=CC(=O)N3NC(=N2)C(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=CC(=O)N3NC(=N2)C(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H17N5O2S/c1-15-9-11-17(12-10-15)27-23-24-18(16-6-3-2-4-7-16)14-20(29)28(23)26-22(25-27)21(30)19-8-5-13-31-19/h2-14H,1H3,(H,25,26)