4-[[[3,5-bis(chloranyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide

Systemtic Name: 4-[[[3,5-bis(chloranyl)phenyl]carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide Openeye Name: 4-[[(4-tert-butylcyclohexyl)-[(3,5-dichlorophenyl)carbamoyl]amino]methyl]-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide CAS Name: 4-[[(4-tert-butylcyclohexyl)-[(3,5-dichloroanilino)-oxomethyl]amino]methyl]-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide IUPAC Name: 4-[[(4-tert-butylcyclohexyl)-[(3,5-dichlorophenyl)carbamoyl]amino]methyl]-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide Traditional Name: 4-[[(4-tert-butylcyclohexyl)-[(3,5-dichlorophenyl)carbamoyl]amino]methyl]-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide Formula: C30H33Cl2N7O2 MolecularWeight: 594.53472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NC3=NC=NC4=C3C=NN4)C(=O)NC5=CC(=CC(=C5)Cl)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NC3=NC=NC4=C3C=NN4)C(=O)NC5=CC(=CC(=C5)Cl)Cl

InChI

InChI=1S/C30H33Cl2N7O2/c1-30(2,3)20-8-10-24(11-9-20)39(29(41)36-23-13-21(31)12-22(32)14-23)16-18-4-6-19(7-5-18)28(40)37-26-25-15-35-38-27(25)34-17-33-26/h4-7,12-15,17,20,24H,8-11,16H2,1-3H3,(H,36,41)(H2,33,34,35,37,38,40)