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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbothioyl-3-fluoranyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidine-5-carbothioyl)-3-fluoro-benzamide CAS Name: N-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidine-5-carbothioyl)-3-fluorobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidine-5-carbothioyl)-3-fluoro-benzamide Formula: C16H17FN4O3S MolecularWeight: 364.394583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)C(=S)NC(=O)C2=CC(=CC=C2)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)C(=S)NC(=O)C2=CC(=CC=C2)F)N

InChI

InChI=1S/C16H17FN4O3S/c1-2-3-7-21-12(18)11(14(23)20-16(21)24)15(25)19-13(22)9-5-4-6-10(17)8-9/h4-6,8H,2-3,7,18H2,1H3,(H,19,22,25)(H,20,23,24)