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

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-4-bromanyl-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]benzamide Openeye Name: N-(3-amino-3-oxo-propyl)-N-[1-(5-benzyl-3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-bromo-benzamide CAS Name: N-(3-amino-3-oxopropyl)-4-bromo-N-[1-[3-methyl-4-oxo-5-(phenylmethyl)-6-isoxazolo[5,4-d]pyrimidinyl]propyl]benzamide IUPAC Name: N-(3-amino-3-oxopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-bromobenzamide Traditional Name: N-(3-amino-3-keto-propyl)-N-[1-(5-benzyl-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-bromo-benzamide Formula: C26H26BrN5O4 MolecularWeight: 552.41974

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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(=O)N)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN5O4/c1-3-20(31(14-13-21(28)33)25(34)18-9-11-19(27)12-10-18)23-29-24-22(16(2)30-36-24)26(35)32(23)15-17-7-5-4-6-8-17/h4-12,20H,3,13-15H2,1-2H3,(H2,28,33)