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

Systemtic Name: N-(3-azanylpropyl)-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-nitro-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-nitro-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[3-methyl-4-oxo-5-(phenylmethyl)-6-isoxazolo[5,4-d]pyrimidinyl]propyl]-4-nitrobenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-nitrobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(5-benzyl-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-nitro-benzamide Formula: C26H28N6O5 MolecularWeight: 504.53772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N6O5/c1-3-21(30(15-7-14-27)25(33)19-10-12-20(13-11-19)32(35)36)23-28-24-22(17(2)29-37-24)26(34)31(23)16-18-8-5-4-6-9-18/h4-6,8-13,21H,3,7,14-16,27H2,1-2H3