N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-pentyl-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-pentyl-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-pentyl-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-pentyl-2-(2-quinolinylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(2-quinolylthio)acetamide Formula: C24H31N5O3S MolecularWeight: 469.59964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H31N5O3S/c1-3-5-9-15-28(21-22(25)29(14-6-4-2)24(32)27-23(21)31)20(30)16-33-19-13-12-17-10-7-8-11-18(17)26-19/h7-8,10-13H,3-6,9,14-16,25H2,1-2H3,(H,27,31,32)