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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-butyl-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-butyl-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-butyl-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butyl-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-butyl-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C20H28FN5O2S MolecularWeight: 421.532023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN5O2S/c1-4-6-10-25(20(29)23-14-9-8-13(3)15(21)12-14)16-17(22)26(11-7-5-2)19(28)24-18(16)27/h8-9,12H,4-7,10-11,22H2,1-3H3,(H,23,29)(H,24,27,28)