5-[cyclopropyl-[6-(2,4-dichlorophenyl)-8-ethyl-purin-9-yl]methyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[cyclopropyl-[6-(2,4-dichlorophenyl)-8-ethyl-purin-9-yl]methyl]-3-methyl-1,2-oxazole Openeye Name: 5-[cyclopropyl-[6-(2,4-dichlorophenyl)-8-ethyl-purin-9-yl]methyl]-3-methyl-isoxazole CAS Name: 5-[cyclopropyl-[6-(2,4-dichlorophenyl)-8-ethyl-9-purinyl]methyl]-3-methylisoxazole IUPAC Name: 5-[cyclopropyl-[6-(2,4-dichlorophenyl)-8-ethylpurin-9-yl]methyl]-3-methyl-1,2-oxazole Traditional Name: 5-[cyclopropyl-[6-(2,4-dichlorophenyl)-8-ethyl-purin-9-yl]methyl]-3-methyl-isoxazole Formula: C21H19Cl2N5O MolecularWeight: 428.31446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4=CC(=NO4)C)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4=CC(=NO4)C)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H19Cl2N5O/c1-3-17-26-19-18(14-7-6-13(22)9-15(14)23)24-10-25-21(19)28(17)20(12-4-5-12)16-8-11(2)27-29-16/h6-10,12,20H,3-5H2,1-2H3