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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-[bis(fluoranyl)methylsulfanyl]-N-butyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-4-(difluoromethylsulfanyl)benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-4-(difluoromethylthio)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(difluoromethylsulfanyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-4-(difluoromethylthio)benzamide Formula: C20H26F2N4O3S MolecularWeight: 440.507246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(C=C2)SC(F)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(C=C2)SC(F)F)N

InChI

InChI=1S/C20H26F2N4O3S/c1-3-5-11-25(18(28)13-7-9-14(10-8-13)30-19(21)22)15-16(23)26(12-6-4-2)20(29)24-17(15)27/h7-10,19H,3-6,11-12,23H2,1-2H3,(H,24,27,29)