1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-ethyl-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-ethyl-3-(2-fluorophenyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-ethyl-3-(2-fluorophenyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-ethyl-3-(2-fluorophenyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-3-(2-fluorophenyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-ethyl-3-(2-fluorophenyl)thiourea Formula: C17H22FN5O2S MolecularWeight: 379.452283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)NC2=CC=CC=C2F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)NC2=CC=CC=C2F)N

InChI

InChI=1S/C17H22FN5O2S/c1-3-5-10-23-14(19)13(15(24)21-16(23)25)22(4-2)17(26)20-12-9-7-6-8-11(12)18/h6-9H,3-5,10,19H2,1-2H3,(H,20,26)(H,21,24,25)