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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=S)NCC2=CC=C(C=C2)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=S)NCC2=CC=C(C=C2)F)N

InChI

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