1-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenethyl-urea

Systemtic Name: 1-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenethyl-urea Openeye Name: 1-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenethyl-urea CAS Name: 1-[[1,6-diethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-3-phenethylurea IUPAC Name: 1-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenethylurea Traditional Name: 1-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenethyl-urea Formula: C25H34N6O2 MolecularWeight: 450.57646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H34N6O2/c1-3-22-20(16-27-25(32)26-13-10-18-8-6-5-7-9-18)23(29-19-11-14-33-15-12-19)21-17-28-31(4-2)24(21)30-22/h5-9,17,19H,3-4,10-16H2,1-2H3,(H,29,30)(H2,26,27,32)