6-[5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C27H26N4O4S2 MolecularWeight: 534.64974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CCCCCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CCCCCC(=O)O

InChI

InChI=1S/C27H26N4O4S2/c32-23(33)11-2-1-6-14-31-26(35)21(37-27(31)36)16-20-24(28-22-10-5-7-13-30(22)25(20)34)29-15-12-18-8-3-4-9-19(18)17-29/h3-5,7-10,13,16H,1-2,6,11-12,14-15,17H2,(H,32,33)