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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-chloranyl-quinoline-4-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-chloro-quinoline-4-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-chloro-4-quinolinecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-chloroquinoline-4-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-chloro-cinchoninamide Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=NC4=CC=CC=C43)Cl

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C25H24ClN5O3/c1-2-3-13-30(24(33)18-14-20(26)28-19-12-8-7-11-17(18)19)21-22(27)31(25(34)29-23(21)32)15-16-9-5-4-6-10-16/h4-12,14H,2-3,13,15,27H2,1H3,(H,29,32,34)