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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(2-thienyl)cinchoninamide Formula: C26H29N5O3S MolecularWeight: 491.60516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N

InChI

InChI=1S/C26H29N5O3S/c1-3-5-13-30(22-23(27)31(14-6-4-2)26(34)29-24(22)32)25(33)18-16-20(21-12-9-15-35-21)28-19-11-8-7-10-17(18)19/h7-12,15-16H,3-6,13-14,27H2,1-2H3,(H,29,32,34)