N-[(4-fluorophenyl)methyl]-1-methyl-2-(4-methylsulfonylpiperazin-1-yl)-5,6-bis(oxidanylidene)-4H-pyrimidine-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-methyl-2-(4-methylsulfonylpiperazin-1-yl)-5,6-bis(oxidanylidene)-4H-pyrimidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-methyl-2-(4-methylsulfonylpiperazin-1-yl)-5,6-dioxo-4H-pyrimidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-methyl-2-(4-methylsulfonyl-1-piperazinyl)-5,6-dioxo-4H-pyrimidine-4-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-methyl-2-(4-methylsulfonylpiperazin-1-yl)-5,6-dioxo-4H-pyrimidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-5,6-diketo-2-(4-mesylpiperazino)-1-methyl-4H-pyrimidine-4-carboxamide Formula: C18H22FN5O5S MolecularWeight: 439.461183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=O)C(N=C1N2CCN(CC2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=O)C(=O)C(N=C1N2CCN(CC2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN5O5S/c1-22-17(27)15(25)14(16(26)20-11-12-3-5-13(19)6-4-12)21-18(22)23-7-9-24(10-8-23)30(2,28)29/h3-6,14H,7-11H2,1-2H3,(H,20,26)