N-[1-(4-methoxy-2-methyl-phenyl)-3,6-dimethyl-pyrazolo[3,4-d]pyrimidin-4-yl]-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine

Systemtic Name: N-[1-(4-methoxy-2-methyl-phenyl)-3,6-dimethyl-pyrazolo[3,4-d]pyrimidin-4-yl]-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine Openeye Name: N-[1-(4-methoxy-2-methyl-phenyl)-3,6-dimethyl-pyrazolo[3,4-d]pyrimidin-4-yl]-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine CAS Name: N-[1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-4-pyrazolo[3,4-d]pyrimidinyl]-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine IUPAC Name: N-[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine Traditional Name: [1-(4-methoxy-2-methyl-phenyl)-3,6-dimethyl-pyrazolo[3,4-d]pyrimidin-4-yl]-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]amine Formula: C21H26N8O2 MolecularWeight: 422.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=NC(=NO1)NC2=NC(=NC3=C2C(=NN3C4=C(C=C(C=C4)OC)C)C)C

Isomeric SMILES

CCCNCC1=NC(=NO1)NC2=NC(=NC3=C2C(=NN3C4=C(C=C(C=C4)OC)C)C)C

InChI

InChI=1S/C21H26N8O2/c1-6-9-22-11-17-25-21(28-31-17)26-19-18-13(3)27-29(20(18)24-14(4)23-19)16-8-7-15(30-5)10-12(16)2/h7-8,10,22H,6,9,11H2,1-5H3,(H,23,24,26,28)