N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-chloranyl-6-fluoranyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-chloranyl-6-fluoranyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-chloro-6-fluoro-N-isopentyl-benzothiophene-2-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-chloro-6-fluoro-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-chloro-6-fluoro-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-chloro-6-fluoro-N-isoamyl-benzothiophene-2-carboxamide Formula: C22H26ClFN4O3S MolecularWeight: 480.983243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)N

InChI

InChI=1S/C22H26ClFN4O3S/c1-4-5-9-28-19(25)17(20(29)26-22(28)31)27(10-8-12(2)3)21(30)18-16(23)14-7-6-13(24)11-15(14)32-18/h6-7,11-12H,4-5,8-10,25H2,1-3H3,(H,26,29,31)