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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-methyl-5,6-bis(oxidanylidene)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4H-pyrimidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dioxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4H-pyrimidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dioxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4H-pyrimidine-4-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dioxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4H-pyrimidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-5,6-diketo-1-methyl-2-[4-(2-pyrimidyl)piperazino]-4H-pyrimidine-4-carboxamide Formula: C21H22FN7O3 MolecularWeight: 439.442883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=O)C(N=C1N2CCN(CC2)C3=NC=CC=N3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C(=O)C(N=C1N2CCN(CC2)C3=NC=CC=N3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN7O3/c1-27-19(32)17(30)16(18(31)25-13-14-3-5-15(22)6-4-14)26-21(27)29-11-9-28(10-12-29)20-23-7-2-8-24-20/h2-8,16H,9-13H2,1H3,(H,25,31)