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

Systemtic Name: 1-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenyl-urea Openeye Name: 1-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenyl-urea CAS Name: 1-[[1,6-diethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-3-phenylurea IUPAC Name: 1-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenylurea Traditional Name: 1-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-phenyl-urea Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O2/c1-3-20-18(14-24-23(30)27-16-8-6-5-7-9-16)21(26-17-10-12-31-13-11-17)19-15-25-29(4-2)22(19)28-20/h5-9,15,17H,3-4,10-14H2,1-2H3,(H,26,28)(H2,24,27,30)