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

Systemtic Name: (6Z)-2-[2-(dimethylamino)propan-2-yl]-6-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-1H-pyrimidine-4,5-dione hydrochloride Openeye Name: (6Z)-2-[1-(dimethylamino)-1-methyl-ethyl]-6-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-1H-pyrimidine-4,5-dione hydrochloride CAS Name: (6Z)-2-[2-(dimethylamino)propan-2-yl]-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-1H-pyrimidine-4,5-dione hydrochloride IUPAC Name: (6Z)-2-[2-(dimethylamino)propan-2-yl]-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-1H-pyrimidine-4,5-dione hydrochloride Traditional Name: (6Z)-2-[1-(dimethylamino)-1-methyl-ethyl]-6-[[(4-fluorobenzyl)amino]-hydroxy-methylene]-1H-pyrimidine-4,5-quinone hydrochloride Formula: C17H22ClFN4O3 MolecularWeight: 384.832983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC(=O)C(=O)C(=C(NCC2=CC=C(C=C2)F)O)N1)N(C)C.Cl

Isomeric SMILES

CC(C)(C1=NC(=O)C(=O)/C(=C(\NCC2=CC=C(C=C2)F)/O)/N1)N(C)C.Cl

InChI

InChI=1S/C17H21FN4O3.ClH/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10;/h5-8,19,24H,9H2,1-4H3,(H,20,21,25);1H/b14-12-;