3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(diphenylmethyl)propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(diphenylmethyl)propanamide Openeye Name: N-benzhydryl-3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(diphenylmethyl)propanamide IUPAC Name: N-benzhydryl-3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-benzhydryl-3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2/c1-25(2,3)30-23-20(16-27-30)24(32)29(17-26-23)15-14-21(31)28-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,22H,14-15H2,1-3H3,(H,28,31)