2-azanylidene-5-but-2-ynyl-3-ethyl-6-(3-fluorophenyl)-1-oxidanyl-6-pyridin-3-yl-1,3-diazinan-4-one

Systemtic Name: 2-azanylidene-5-but-2-ynyl-3-ethyl-6-(3-fluorophenyl)-1-oxidanyl-6-pyridin-3-yl-1,3-diazinan-4-one Openeye Name: 5-but-2-ynyl-3-ethyl-6-(3-fluorophenyl)-1-hydroxy-2-imino-6-(3-pyridyl)hexahydropyrimidin-4-one CAS Name: 5-but-2-ynyl-3-ethyl-6-(3-fluorophenyl)-1-hydroxy-2-imino-6-(3-pyridinyl)-1,3-diazinan-4-one IUPAC Name: 5-but-2-ynyl-3-ethyl-6-(3-fluorophenyl)-1-hydroxy-2-imino-6-pyridin-3-yl-1,3-diazinan-4-one Traditional Name: 5-but-2-ynyl-3-ethyl-6-(3-fluorophenyl)-1-hydroxy-2-imino-6-(3-pyridyl)hexahydropyrimidin-4-one Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(N(C1=N)O)(C2=CC(=CC=C2)F)C3=CN=CC=C3)CC#CC

Isomeric SMILES

CCN1C(=O)C(C(N(C1=N)O)(C2=CC(=CC=C2)F)C3=CN=CC=C3)CC#CC

InChI

InChI=1S/C21H21FN4O2/c1-3-5-11-18-19(27)25(4-2)20(23)26(28)21(18,16-9-7-12-24-14-16)15-8-6-10-17(22)13-15/h6-10,12-14,18,23,28H,4,11H2,1-2H3