N-[4-azanyl-2,6-bis(oxidanylidene)-1,3-dipropyl-pyrimidin-5-yl]carbothioyl-2-fluoranyl-benzamide

Systemtic Name: N-[4-azanyl-2,6-bis(oxidanylidene)-1,3-dipropyl-pyrimidin-5-yl]carbothioyl-2-fluoranyl-benzamide Openeye Name: N-(4-amino-2,6-dioxo-1,3-dipropyl-pyrimidine-5-carbothioyl)-2-fluoro-benzamide CAS Name: N-[(4-amino-2,6-dioxo-1,3-dipropyl-5-pyrimidinyl)-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothioyl)-2-fluorobenzamide Traditional Name: N-(4-amino-2,6-diketo-1,3-dipropyl-pyrimidine-5-carbothioyl)-2-fluoro-benzamide Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CCC)C(=S)NC(=O)C2=CC=CC=C2F)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CCC)C(=S)NC(=O)C2=CC=CC=C2F)N

InChI

InChI=1S/C18H21FN4O3S/c1-3-9-22-14(20)13(17(25)23(10-4-2)18(22)26)16(27)21-15(24)11-7-5-6-8-12(11)19/h5-8H,3-4,9-10,20H2,1-2H3,(H,21,24,27)