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

Systemtic Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-3-heptyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one Formula: C28H30N4O2S2 MolecularWeight: 518.6934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC5=CC=CC=C5C4)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC5=CC=CC=C5C4)SC1=S

InChI

InChI=1S/C28H30N4O2S2/c1-2-3-4-5-9-16-32-27(34)23(36-28(32)35)18-22-25(29-24-13-8-10-15-31(24)26(22)33)30-17-14-20-11-6-7-12-21(20)19-30/h6-8,10-13,15,18H,2-5,9,14,16-17,19H2,1H3