N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[5-methyl-2-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=NC6=C5C=NN6C7=CC=CC=C7

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=NC6=C5C=NN6C7=CC=CC=C7

InChI

InChI=1S/C26H27N7O/c1-16-7-22(30-25(34)26-11-17-8-18(12-26)10-19(9-17)13-26)33(31-16)24-21-14-29-32(23(21)27-15-28-24)20-5-3-2-4-6-20/h2-7,14-15,17-19H,8-13H2,1H3,(H,30,34)