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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(2-fluorophenyl)-1-pentyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(2-fluorophenyl)-1-pentyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(2-fluorophenyl)-1-pentylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2-fluorophenyl)-1-pentylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-amyl-3-(2-fluorophenyl)thiourea Formula: C20H28FN5O2S MolecularWeight: 421.532023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=S)NC2=CC=CC=C2F

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C20H28FN5O2S/c1-3-5-9-13-25(20(29)23-15-11-8-7-10-14(15)21)16-17(22)26(12-6-4-2)19(28)24-18(16)27/h7-8,10-11H,3-6,9,12-13,22H2,1-2H3,(H,23,29)(H,24,27,28)