1-[4-[(6-cyclohexyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-3-ethyl-urea

Systemtic Name: 1-[4-[(6-cyclohexyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-3-ethyl-urea Openeye Name: 1-[4-[(6-cyclohexyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-3-ethyl-urea CAS Name: 1-[4-[(6-cyclohexyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]cyclohexyl]-3-ethylurea IUPAC Name: 1-[4-[(6-cyclohexyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-3-ethylurea Traditional Name: 1-[4-[(6-cyclohexyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-3-ethyl-urea Formula: C27H37N7O MolecularWeight: 475.62898

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1CCC(CC1)NC2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5CCCCC5

Isomeric SMILES

CCNC(=O)NC1CCC(CC1)NC2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5CCCCC5

InChI

InChI=1S/C27H37N7O/c1-3-28-27(35)30-21-16-14-20(15-17-21)29-25-23-18(2)33-34(22-12-8-5-9-13-22)26(23)32-24(31-25)19-10-6-4-7-11-19/h5,8-9,12-13,19-21H,3-4,6-7,10-11,14-17H2,1-2H3,(H2,28,30,35)(H,29,31,32)