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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-chloranyl-quinoline-4-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-chloro-quinoline-4-carboxamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-chloro-4-quinolinecarboxamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-chloroquinoline-4-carboxamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-chloro-cinchoninamide Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O3/c1-3-5-11-26(17-18(23)27(10-4-2)21(30)25-19(17)28)20(29)14-12-16(22)24-15-9-7-6-8-13(14)15/h6-9,12H,3-5,10-11,23H2,1-2H3,(H,25,28,30)