N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(4-fluorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(4-fluorophenyl)quinoline-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(4-fluorophenyl)quinoline-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-(4-fluorophenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-fluorophenyl)quinoline-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(4-fluorophenyl)cinchoninamide Formula: C28H30FN5O3 MolecularWeight: 503.567903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C28H30FN5O3/c1-3-5-15-33(24-25(30)34(16-6-4-2)28(37)32-26(24)35)27(36)21-17-23(18-11-13-19(29)14-12-18)31-22-10-8-7-9-20(21)22/h7-14,17H,3-6,15-16,30H2,1-2H3,(H,32,35,37)