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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(2-furyl)quinoline-4-carboxamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(2-furanyl)-4-quinolinecarboxamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(2-furyl)cinchoninamide Formula: C25H27N5O4 MolecularWeight: 461.51298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C25H27N5O4/c1-3-5-13-29(21-22(26)30(12-4-2)25(33)28-23(21)31)24(32)17-15-19(20-11-8-14-34-20)27-18-10-7-6-9-16(17)18/h6-11,14-15H,3-5,12-13,26H2,1-2H3,(H,28,31,33)