3,4-bis(chloranyl)-N-(2-cyanoethyl)-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-(2-cyanoethyl)-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]benzamide Openeye Name: N-[1-(5-benzyl-3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-3,4-dichloro-N-(2-cyanoethyl)benzamide CAS Name: 3,4-dichloro-N-(2-cyanoethyl)-N-[1-[3-methyl-4-oxo-5-(phenylmethyl)-6-isoxazolo[5,4-d]pyrimidinyl]propyl]benzamide IUPAC Name: N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-3,4-dichloro-N-(2-cyanoethyl)benzamide Traditional Name: N-[1-(5-benzyl-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-3,4-dichloro-N-(2-cyanoethyl)benzamide Formula: C26H23Cl2N5O3 MolecularWeight: 524.39852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCC#N)C(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCC#N)C(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H23Cl2N5O3/c1-3-21(32(13-7-12-29)25(34)18-10-11-19(27)20(28)14-18)23-30-24-22(16(2)31-36-24)26(35)33(23)15-17-8-5-4-6-9-17/h4-6,8-11,14,21H,3,7,13,15H2,1-2H3