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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-fluorophenyl)-N-methyl-quinoline-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-fluorophenyl)-N-methyl-quinoline-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(4-fluorophenyl)-N-methyl-4-quinolinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-methylquinoline-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(4-fluorophenyl)-N-methyl-cinchoninamide Formula: C25H24FN5O3 MolecularWeight: 461.488163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN5O3/c1-3-4-13-31-22(27)21(23(32)29-25(31)34)30(2)24(33)18-14-20(15-9-11-16(26)12-10-15)28-19-8-6-5-7-17(18)19/h5-12,14H,3-4,13,27H2,1-2H3,(H,29,32,34)