4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H27N7O/c1-2-23-22(30)28-12-6-11-27(13-14-28)20-18-15-24-29(17-7-4-3-5-8-17)21(18)26-19(25-20)16-9-10-16/h3-5,7-8,15-16H,2,6,9-14H2,1H3,(H,23,30)