1-butyl-5-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-butyl-5-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-butyl-5-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-5-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-butyl-5-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]barbituric acid Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(CC)NCCC2=CNC3=CC=CC=C32)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=C(CC)NCCC2=CNC3=CC=CC=C32)C(=O)NC1=O

InChI

InChI=1S/C21H26N4O3/c1-3-5-12-25-20(27)18(19(26)24-21(25)28)16(4-2)22-11-10-14-13-23-17-9-7-6-8-15(14)17/h6-9,13,22-23H,3-5,10-12H2,1-2H3,(H,24,26,28)