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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-chloranyl-4-fluoranyl-phenyl)-1-ethyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(3-chloro-4-fluoro-phenyl)-1-ethyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(3-chloro-4-fluorophenyl)-1-ethylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-chloro-4-fluorophenyl)-1-ethylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(3-chloro-4-fluoro-phenyl)-1-ethyl-thiourea Formula: C17H21ClFN5O2S MolecularWeight: 413.897343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClFN5O2S/c1-3-5-8-24-14(20)13(15(25)22-16(24)26)23(4-2)17(27)21-10-6-7-12(19)11(18)9-10/h6-7,9H,3-5,8,20H2,1-2H3,(H,21,27)(H,22,25,26)