3-[[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]amino]propanenitrile

Systemtic Name: 3-[[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]amino]propanenitrile Openeye Name: 3-[1-(5-benzyl-3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl)propyl-[2-(4-chlorophenyl)-2-oxo-ethyl]amino]propanenitrile CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]-[1-[3-methyl-4-oxo-5-(phenylmethyl)-6-isoxazolo[5,4-d]pyrimidinyl]propyl]amino]propanenitrile IUPAC Name: 3-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl-[2-(4-chlorophenyl)-2-oxoethyl]amino]propanenitrile Traditional Name: 3-[1-(5-benzyl-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl)propyl-[2-(4-chlorophenyl)-2-keto-ethyl]amino]propionitrile Formula: C27H26ClN5O3 MolecularWeight: 503.98004

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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)CC(=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)CC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN5O3/c1-3-22(32(15-7-14-29)17-23(34)20-10-12-21(28)13-11-20)25-30-26-24(18(2)31-36-26)27(35)33(25)16-19-8-5-4-6-9-19/h4-6,8-13,22H,3,7,15-17H2,1-2H3