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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-N-(2-methylpropyl)quinoline-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-N-isobutyl-quinoline-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-N-(2-methylpropyl)-4-quinolinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methylpropyl)quinoline-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-chloro-N-isobutyl-cinchoninamide Formula: C22H26ClN5O3 MolecularWeight: 443.92654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O3/c1-4-5-10-27-19(24)18(20(29)26-22(27)31)28(12-13(2)3)21(30)15-11-17(23)25-16-9-7-6-8-14(15)16/h6-9,11,13H,4-5,10,12,24H2,1-3H3,(H,26,29,31)