N-[(4-fluorophenyl)methyl]-10-[6-methyl-1,1-bis(oxidanylidene)-1,2,6-thiadiazinan-2-yl]-3,4-bis(oxidanylidene)-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-10-[6-methyl-1,1-bis(oxidanylidene)-1,2,6-thiadiazinan-2-yl]-3,4-bis(oxidanylidene)-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-10-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,4-dioxo-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-10-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,4-dioxo-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-10-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,4-dioxo-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide Traditional Name: 10-(1,1-diketo-6-methyl-1,2,6-thiadiazinan-2-yl)-N-(4-fluorobenzyl)-3,4-diketo-2,6,7,8,9,10-hexahydropyrimid[1,2-a]azepine-2-carboxamide Formula: C21H26FN5O5S MolecularWeight: 479.525043

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(S1(=O)=O)C2CCCCN3C2=NC(C(=O)C3=O)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CN1CCCN(S1(=O)=O)C2CCCCN3C2=NC(C(=O)C3=O)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN5O5S/c1-25-10-4-12-27(33(25,31)32)16-5-2-3-11-26-19(16)24-17(18(28)21(26)30)20(29)23-13-14-6-8-15(22)9-7-14/h6-9,16-17H,2-5,10-13H2,1H3,(H,23,29)