(6E)-6-[[(4-fluoranyl-3-methyl-phenyl)methylamino]-oxidanyl-methylidene]-3-methyl-2-piperazin-1-yl-pyrimidine-4,5-dione

Systemtic Name: (6E)-6-[[(4-fluoranyl-3-methyl-phenyl)methylamino]-oxidanyl-methylidene]-3-methyl-2-piperazin-1-yl-pyrimidine-4,5-dione Openeye Name: (6E)-6-[[(4-fluoro-3-methyl-phenyl)methylamino]-hydroxy-methylene]-3-methyl-2-piperazin-1-yl-pyrimidine-4,5-dione CAS Name: (6E)-6-[[(4-fluoro-3-methylphenyl)methylamino]-hydroxymethylidene]-3-methyl-2-(1-piperazinyl)pyrimidine-4,5-dione IUPAC Name: (6E)-6-[[(4-fluoro-3-methylphenyl)methylamino]-hydroxymethylidene]-3-methyl-2-piperazin-1-ylpyrimidine-4,5-dione Traditional Name: (6E)-6-[[(4-fluoro-3-methyl-benzyl)amino]-hydroxy-methylene]-3-methyl-2-piperazino-pyrimidine-4,5-quinone Formula: C18H22FN5O3 MolecularWeight: 375.397383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=C2C(=O)C(=O)N(C(=N2)N3CCNCC3)C)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)CN/C(=C\2/C(=O)C(=O)N(C(=N2)N3CCNCC3)C)/O)F

InChI

InChI=1S/C18H22FN5O3/c1-11-9-12(3-4-13(11)19)10-21-16(26)14-15(25)17(27)23(2)18(22-14)24-7-5-20-6-8-24/h3-4,9,20-21,26H,5-8,10H2,1-2H3/b16-14+