N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(4-fluorophenyl)sulfanyl-N-propyl-butanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(4-fluorophenyl)sulfanyl-N-propyl-butanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(4-fluorophenyl)sulfanyl-N-propyl-butanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-[(4-fluorophenyl)thio]-N-propylbutanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-fluorophenyl)sulfanyl-N-propylbutanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-[(4-fluorophenyl)thio]-N-propyl-butyramide Formula: C21H29FN4O3S MolecularWeight: 436.543363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCCSC2=CC=C(C=C2)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCCSC2=CC=C(C=C2)F)N

InChI

InChI=1S/C21H29FN4O3S/c1-3-5-13-26-19(23)18(20(28)24-21(26)29)25(12-4-2)17(27)7-6-14-30-16-10-8-15(22)9-11-16/h8-11H,3-7,12-14,23H2,1-2H3,(H,24,28,29)