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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(4-fluorophenyl)-1-methyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(4-fluorophenyl)-1-methylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(4-fluorophenyl)-1-methyl-thiourea Formula: C16H20FN5O2S MolecularWeight: 365.425703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN5O2S/c1-3-4-9-22-13(18)12(14(23)20-15(22)24)21(2)16(25)19-11-7-5-10(17)6-8-11/h5-8H,3-4,9,18H2,1-2H3,(H,19,25)(H,20,23,24)