2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-methyl-3-oxidanylidene-4-purin-7-yl-1H-pyrazol-2-yl)phenyl]butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-methyl-3-oxidanylidene-4-purin-7-yl-1H-pyrazol-2-yl)phenyl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-(5-methyl-3-oxo-4-purin-7-yl-1H-pyrazol-2-yl)phenyl]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-methyl-3-oxo-4-(7-purinyl)-1H-pyrazol-2-yl]phenyl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-methyl-3-oxo-4-purin-7-yl-1H-pyrazol-2-yl)phenyl]butanamide Traditional Name: 2-(2,4-ditert-amylphenoxy)-N-[4-(5-keto-3-methyl-4-purin-7-yl-3-pyrazolin-1-yl)phenyl]butyramide Formula: C35H43N7O3 MolecularWeight: 609.76102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)N3C=NC4=NC=NC=C43)OC5=C(C=C(C=C5)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)N3C=NC4=NC=NC=C43)OC5=C(C=C(C=C5)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C35H43N7O3/c1-9-28(45-29-17-12-23(34(5,6)10-2)18-26(29)35(7,8)11-3)32(43)39-24-13-15-25(16-14-24)42-33(44)30(22(4)40-42)41-21-38-31-27(41)19-36-20-37-31/h12-21,28,40H,9-11H2,1-8H3,(H,39,43)