3-[[3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[[3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methylamino]-N-cyclopropyl-benzamide CAS Name: 3-[[3-(cyanomethyl)-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methylamino]-N-cyclopropylbenzamide IUPAC Name: 3-[[3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methylamino]-N-cyclopropylbenzamide Traditional Name: 3-[[3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methylamino]-N-cyclopropyl-benzamide Formula: C25H21N5O2S MolecularWeight: 455.53154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC#N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC#N

InChI

InChI=1S/C25H21N5O2S/c26-11-12-30-21(14-27-19-8-4-7-17(13-19)23(31)28-18-9-10-18)29-24-22(25(30)32)20(15-33-24)16-5-2-1-3-6-16/h1-8,13,15,18,27H,9-10,12,14H2,(H,28,31)