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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-propyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(4-fluorophenyl)-1-propyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(4-fluorophenyl)-1-propylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-fluorophenyl)-1-propylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(4-fluorophenyl)-1-propyl-thiourea Formula: C18H24FN5O2S MolecularWeight: 393.478863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN5O2S/c1-3-5-11-24-15(20)14(16(25)22-17(24)26)23(10-4-2)18(27)21-13-8-6-12(19)7-9-13/h6-9H,3-5,10-11,20H2,1-2H3,(H,21,27)(H,22,25,26)