4-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: 4-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]-4-chloro-N-(2-cyanoethyl)benzamide CAS Name: 4-chloro-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]-4-chloro-N-(2-cyanoethyl)benzamide Traditional Name: N-[1-(5-benzyl-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-chloro-N-(2-cyanoethyl)benzamide Formula: C26H24ClN5O3 MolecularWeight: 489.95346

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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

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

InChI

InChI=1S/C26H24ClN5O3/c1-3-21(31(15-7-14-28)25(33)19-10-12-20(27)13-11-19)23-29-24-22(17(2)30-35-24)26(34)32(23)16-18-8-5-4-6-9-18/h4-6,8-13,21H,3,7,15-16H2,1-2H3