2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C17H21BrFN5O3 MolecularWeight: 442.282743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)F)N

InChI

InChI=1S/C17H21BrFN5O3/c1-3-4-7-24-15(20)14(16(26)22-17(24)27)23(2)9-13(25)21-12-6-5-10(18)8-11(12)19/h5-6,8H,3-4,7,9,20H2,1-2H3,(H,21,25)(H,22,26,27)