(6Z)-6-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrimidine-4,5-dione

Systemtic Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrimidine-4,5-dione Openeye Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrimidine-4,5-dione CAS Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrimidine-4,5-dione IUPAC Name: (6Z)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrimidine-4,5-dione Traditional Name: (6Z)-6-[[(4-fluorobenzyl)amino]-hydroxy-methylene]-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-pyrimidine-4,5-quinone Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C3=NC(=O)C(=O)C(=C(NCC4=CC=C(C=C4)F)O)N3

Isomeric SMILES

C1C(NCC2=CC=CC=C21)C3=NC(=O)C(=O)/C(=C(\NCC4=CC=C(C=C4)F)/O)/N3

InChI

InChI=1S/C21H19FN4O3/c22-15-7-5-12(6-8-15)10-24-20(28)17-18(27)21(29)26-19(25-17)16-9-13-3-1-2-4-14(13)11-23-16/h1-8,16,23-24,28H,9-11H2,(H,25,26,29)/b20-17-