3-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-propyl-amino]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-propyl-amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-propyl-amino]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-propylamino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-propylamino]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-propyl-amino]methyl]-4-fluoro-benzonitrile Formula: C19H24FN5O2 MolecularWeight: 373.424563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)CC2=C(C=CC(=C2)C#N)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)CC2=C(C=CC(=C2)C#N)F)N

InChI

InChI=1S/C19H24FN5O2/c1-3-5-9-25-17(22)16(18(26)23-19(25)27)24(8-4-2)12-14-10-13(11-21)6-7-15(14)20/h6-7,10H,3-5,8-9,12,22H2,1-2H3,(H,23,26,27)