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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-[(4-fluorophenyl)methyl]-1-methyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-[(4-fluorophenyl)methyl]-1-methyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-[(4-fluorophenyl)methyl]-1-methylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(4-fluorophenyl)methyl]-1-methylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(4-fluorobenzyl)-1-methyl-thiourea Formula: C17H22FN5O2S MolecularWeight: 379.452283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN5O2S/c1-3-4-9-23-14(19)13(15(24)21-16(23)25)22(2)17(26)20-10-11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,19H2,1-2H3,(H,20,26)(H,21,24,25)