N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyrimidine-5-carboxamide

Systemtic Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyrimidine-5-carboxamide Openeye Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyrimidine-5-carboxamide CAS Name: N-[[1,6-diethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyrimidine-5-carboxamide Traditional Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyrimidine-5-carboxamide Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CN=CN=C4

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CN=CN=C4

InChI

InChI=1S/C21H27N7O2/c1-3-18-16(11-24-21(29)14-9-22-13-23-10-14)19(26-15-5-7-30-8-6-15)17-12-25-28(4-2)20(17)27-18/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,24,29)(H,26,27)