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

Systemtic Name: N-heptan-4-yl-1-(4-methoxy-2-methyl-phenyl)-3,6-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(4-methoxy-2-methyl-phenyl)-3,6-dimethyl-N-(1-propylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-heptan-4-yl-1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-heptan-4-yl-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(4-methoxy-2-methyl-phenyl)-3,6-dimethyl-pyrazolo[3,4-d]pyrimidin-4-yl]-(1-propylbutyl)amine Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=NC(=NC2=C1C(=NN2C3=C(C=C(C=C3)OC)C)C)C

Isomeric SMILES

CCCC(CCC)NC1=NC(=NC2=C1C(=NN2C3=C(C=C(C=C3)OC)C)C)C

InChI

InChI=1S/C22H31N5O/c1-7-9-17(10-8-2)25-21-20-15(4)26-27(22(20)24-16(5)23-21)19-12-11-18(28-6)13-14(19)3/h11-13,17H,7-10H2,1-6H3,(H,23,24,25)