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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-N-(2-methoxyethyl)quinoline-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)quinoline-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-N-(2-methoxyethyl)-4-quinolinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)quinoline-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)cinchoninamide Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O4/c1-3-4-9-27-18(23)17(19(28)25-21(27)30)26(10-11-31-2)20(29)14-12-16(22)24-15-8-6-5-7-13(14)15/h5-8,12H,3-4,9-11,23H2,1-2H3,(H,25,28,30)