1-[(3aR)-4,6-dimethyl-3aH-pyrazolo[3,4-b]pyridin-3-yl]-3-butyl-urea

Systemtic Name: 1-[(3aR)-4,6-dimethyl-3aH-pyrazolo[3,4-b]pyridin-3-yl]-3-butyl-urea Openeye Name: 1-[(3aR)-4,6-dimethyl-3aH-pyrazolo[3,4-b]pyridin-3-yl]-3-butyl-urea CAS Name: 1-[(3aR)-4,6-dimethyl-3aH-pyrazolo[3,4-b]pyridin-3-yl]-3-butylurea IUPAC Name: 1-[(3aR)-4,6-dimethyl-3aH-pyrazolo[3,4-b]pyridin-3-yl]-3-butylurea Traditional Name: 1-[(3aR)-4,6-dimethyl-3aH-pyrazolo[3,4-b]pyridin-3-yl]-3-butyl-urea Formula: C13H19N5O MolecularWeight: 261.32286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NN=C2C1C(=CC(=N2)C)C

Isomeric SMILES

CCCCNC(=O)NC1=NN=C2[C@@H]1C(=CC(=N2)C)C

InChI

InChI=1S/C13H19N5O/c1-4-5-6-14-13(19)16-12-10-8(2)7-9(3)15-11(10)17-18-12/h7,10H,4-6H2,1-3H3,(H2,14,16,18,19)/t10-/m0/s1