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

Systemtic Name: 3-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]methyl]-4-fluoro-benzonitrile Formula: C18H22FN5O2 MolecularWeight: 359.397983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN5O2/c1-3-5-8-24-16(21)15(17(25)22-18(24)26)23(4-2)11-13-9-12(10-20)6-7-14(13)19/h6-7,9H,3-5,8,11,21H2,1-2H3,(H,22,25,26)