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

Systemtic Name: 4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-(3,6-dimethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O/c1-4-22-21(29)27-12-8-11-26(13-14-27)19-18-15(2)25-28(17-9-6-5-7-10-17)20(18)24-16(3)23-19/h5-7,9-10H,4,8,11-14H2,1-3H3,(H,22,29)